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300849-76-7 molecular structure
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2-(3-bromobenzoyl)-1-methyl-1H-imidazole

ChemBase ID: 310899
Molecular Formular: C11H9BrN2O
Molecular Mass: 265.10596
Monoisotopic Mass: 263.98982492
SMILES and InChIs

SMILES:
c1(C(=O)c2cc(Br)ccc2)n(ccn1)C
Canonical SMILES:
Brc1cccc(c1)C(=O)c1nccn1C
InChI:
InChI=1S/C11H9BrN2O/c1-14-6-5-13-11(14)10(15)8-3-2-4-9(12)7-8/h2-7H,1H3
InChIKey:
YLPFQQZJYHNTLW-UHFFFAOYSA-N

Cite this record

CBID:310899 http://www.chembase.cn/molecule-310899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-bromobenzoyl)-1-methyl-1H-imidazole
IUPAC Traditional name
2-(3-bromobenzoyl)-1-methylimidazole
Synonyms
(3-bromophenyl)(1-methyl-1H-imidazol-2-yl)methanone
CAS Number
300849-76-7
MDL Number
MFCD00792019

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6682596  LogD (pH = 7.4) 2.6838987 
Log P 2.6841023  Molar Refractivity 61.585 cm3
Polarizability 23.355066 Å3 Polar Surface Area 34.89 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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