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900019-45-6 molecular structure
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1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine

ChemBase ID: 308343
Molecular Formular: C10H13BrN2O
Molecular Mass: 257.12702
Monoisotopic Mass: 256.02112505
SMILES and InChIs

SMILES:
c1(C(=O)N2CCCCC2)cc(c[nH]1)Br
Canonical SMILES:
O=C(c1[nH]cc(c1)Br)N1CCCCC1
InChI:
InChI=1S/C10H13BrN2O/c11-8-6-9(12-7-8)10(14)13-4-2-1-3-5-13/h6-7,12H,1-5H2
InChIKey:
IGBNXEGULSVUNQ-UHFFFAOYSA-N

Cite this record

CBID:308343 http://www.chembase.cn/molecule-308343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine
IUPAC Traditional name
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine
Synonyms
1-[(4-bromo-1H-pyrrol-2-yl)carbonyl]piperidine
CAS Number
900019-45-6
MDL Number
MFCD07021325

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8902421  LogD (pH = 7.4) 1.8902376 
Log P 1.8902422  Molar Refractivity 59.3309 cm3
Polarizability 22.219448 Å3 Polar Surface Area 36.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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