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1214-16-0 molecular structure
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3,6-dibromo-9-ethenyl-9H-carbazole

ChemBase ID: 798706
Molecular Formular: C14H9Br2N
Molecular Mass: 351.03596
Monoisotopic Mass: 348.91017329
SMILES and InChIs

SMILES:
c1c(cc2c(c1)n(c1ccc(cc21)Br)C=C)Br
Canonical SMILES:
C=Cn1c2ccc(cc2c2c1ccc(c2)Br)Br
InChI:
InChI=1S/C14H9Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h2-8H,1H2
InChIKey:
ORMIJZCMQBMNFA-UHFFFAOYSA-N

Cite this record

CBID:798706 http://www.chembase.cn/molecule-798706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dibromo-9-ethenyl-9H-carbazole
IUPAC Traditional name
3,6-dibromo-9-ethenylcarbazole
Synonyms
3,6-dibromo-9-vinylcarbazole
CAS Number
1214-16-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3567414  LogD (pH = 7.4) 5.3567414 
Log P 5.3567414  Molar Refractivity 77.3067 cm3
Polarizability 31.908482 Å3 Polar Surface Area 4.93 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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