AG002511

176961-53-8 | 1H-Imidazole, 2-(4-bromophenyl)-

AG002511

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CAS Number	176961-53-8
Catalog Number	AG002511(AGN-PC-00EA0W)
Chemical Name	1H-Imidazole, 2-(4-bromophenyl)-
IUPAC Name	2-(4-bromophenyl)-1H-imidazole
InChI	InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)
InChI Key	IRIGPPDONXVEHU-UHFFFAOYSA-N
MDL Number	MFCD04114653
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	BrC1=CC=C(C2=NC=CN2)C=C1
Synonyms	2-(4-bromophenyl)-1H-imidazole, 176961-53-8, 2-(4-Bromo-phenyl)-1H-imidazole, 2-(4-BROMOPHENYL)IMIDAZOLE, 1H-IMIDAZOLE, 2-(4-BROMOPHENYL)-, SCHEMBL482406, CHEMBL552291, CTK3J8342, DTXSID40470728, IRIGPPDONXVEHU-UHFFFAOYSA-N, ANW-59510, MFCD04114653, ZINC36377917, AKOS010226067, AB18739, AS06552, CB-2597, CM10517, RTC-030098, TRA0053464, AC-27949, AJ-92678, AS-31329, CJ-18889, SC-51915, SY012470, AB0051617, DB-005774, TC-030098, CS-0044956, FT-0080397, FT-0602658, ST24039406, V3838, K-5432, MFCD04114653 (95+%), A812223, J-011243, S14-0897, C9H7BrN2, CID11694265, 2-(4-Bromo-phenyl)-1H-imidazole, 98% - 10G 10g,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.073g/mol
Monoisotopic Mass	221.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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