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915921-68-5 molecular structure
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2-(4-bromobenzoyl)-1H-imidazole

ChemBase ID: 312554
Molecular Formular: C10H7BrN2O
Molecular Mass: 251.07938
Monoisotopic Mass: 249.97417485
SMILES and InChIs

SMILES:
c1(ncc[nH]1)C(=O)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)C(=O)c1ncc[nH]1
InChI:
InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9(14)10-12-5-6-13-10/h1-6H,(H,12,13)
InChIKey:
JEBOSSBCWOPJLB-UHFFFAOYSA-N

Cite this record

CBID:312554 http://www.chembase.cn/molecule-312554.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromobenzoyl)-1H-imidazole
IUPAC Traditional name
2-(4-bromobenzoyl)-1H-imidazole
Synonyms
(4-bromophenyl)(1H-imidazol-2-yl)methanone
CAS Number
915921-68-5
MDL Number
MFCD08548430

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.438481  LogD (pH = 7.4) 2.4591532 
Log P 2.4604263  Molar Refractivity 56.6883 cm3
Polarizability 21.612791 Å3 Polar Surface Area 45.75 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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