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2-(4-Bromophenyl)-1-methyl-5-nitro-1H-benzo[d]imidazole

2-(4-Bromophenyl)-1-methyl-5-nitro-1H-benzo[d]imidazole - CAS 20648-12-8

Catalog:	BB071876
Product Name:	2-(4-Bromophenyl)-1-methyl-5-nitro-1H-benzo[d]imidazole
CAS:	20648-12-8
Synonyms:	2-(4-bromophenyl)-1-methyl-5-nitrobenzimidazole; 2-(4-Bromophenyl)-1-methyl-5-nitro-1H-benzo[d]imidazole; 2-(4-BROMOPHENYL)-1-METHYL-5-NITRO-1H-BENZIMIDAZOLE

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(4-bromophenyl)-1-methyl-5-nitrobenzimidazole
Molecular Weight:	332.15
Molecular Formula:	C14H10BrN3O2
Canonical SMILES:	CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=CC=C(C=C3)Br
InChI:	InChI=1S/C14H10BrN3O2/c1-17-13-7-6-11(18(19)20)8-12(13)16-14(17)9-2-4-10(15)5-3-9/h2-8H,1H3
InChI Key:	YGBPUZVNCZHWHH-UHFFFAOYSA-N

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	330.99564
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	330.99564
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6