4-Bromo-5-methylbenzimidazole - CAS 1360963-03-6

Catalog:	BB008298
Product Name:	4-Bromo-5-methylbenzimidazole
CAS:	1360963-03-6
Synonyms:	4-bromo-5-methyl-1H-benzimidazole; 4-bromo-5-methyl-1H-benzimidazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-bromo-5-methyl-1H-benzimidazole
Description:	4-Bromo-5-methylbenzimidazole (CAS# 1360963-03-6) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CC1=C(C2=C(C=C1)NC=N2)Br
InChI:	InChI=1S/C8H7BrN2/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3,(H,10,11)
InChI Key:	ILQTVYOOUXZJHF-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021052499-A1	Fused pyridone compound, and preparation method therefor and use thereof	20190920
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.97926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5