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bromo[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl][(1S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
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ChemBase ID:
148594
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Molecular Formular:
C20H34BBr
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Molecular Mass:
365.19896
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Monoisotopic Mass:
364.19369349
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SMILES and InChIs
SMILES:
B([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)([C@H]1C[C@H]2C[C@@H](C1C)C2(C)C)Br
Canonical SMILES:
BrB([C@H]1C[C@H]2C[C@@H](C1C)C2(C)C)[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
InChI:
InChI=1S/C20H34BBr/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12?,13+,14+,15-,16-,17-,18-/m0/s1
InChIKey:
FKBAVEASVZAXFW-XRSIQOTJSA-N
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Cite this record
CBID:148594 http://www.chembase.cn/molecule-148594.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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bromo[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl][(1S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
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IUPAC Traditional name
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bromo[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl][(1S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borane
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Synonyms
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(1S)-(+)-B-Bromodiisopinocampheylborane
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(+)-DIP-Bromide™
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(1S)-(+)-B-溴二异松蒎烯基硼烷
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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7.3049
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LogD (pH = 7.4)
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7.3049
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Log P
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7.3049
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Molar Refractivity
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94.1292 cm3
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Polarizability
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39.152264 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
414271
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Packaging 5 g in glass bottle Legal Information DIP-Bromide is a trademark of Sigma-Aldrich Co. LLC |
PATENTS
PATENTS
PubChem Patent
Google Patent