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144981-85-1 molecular structure
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2-iodo-9,9-dimethyl-9H-fluorene

ChemBase ID: 291735
Molecular Formular: C15H13I
Molecular Mass: 320.16819
Monoisotopic Mass: 320.00619842
SMILES and InChIs

SMILES:
CC1(C)c2c(c3c1cccc3)ccc(I)c2
Canonical SMILES:
Ic1ccc2c(c1)C(C)(C)c1c2cccc1
InChI:
InChI=1S/C15H13I/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
InChIKey:
DVLSJPCXPNKPRJ-UHFFFAOYSA-N

Cite this record

CBID:291735 http://www.chembase.cn/molecule-291735.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodo-9,9-dimethyl-9H-fluorene
IUPAC Traditional name
2-iodo-9,9-dimethylfluorene
Synonyms
2-Iodo-9,9-dimethyl-9H-fluorene
9,9-Dimethyl-2-iodofluorene
CAS Number
144981-85-1
MDL Number
MFCD12024272
PubChem SID
180677266
PubChem CID
11023630

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.25503  LogD (pH = 7.4) 5.25503 
Log P 5.25503  Molar Refractivity 87.754 cm3
Polarizability 30.885235 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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