4-Bromo-2-(hydroxymethyl)benzimidazole - CAS 1248566-21-3

Catalog:	BB006006
Product Name:	4-Bromo-2-(hydroxymethyl)benzimidazole
CAS:	1248566-21-3
Synonyms:	(4-bromo-1H-benzimidazol-2-yl)methanol; (4-bromo-1H-benzimidazol-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-bromo-1H-benzimidazol-2-yl)methanol
Description:	4-Bromo-2-(hydroxymethyl)benzimidazole (CAS# 1248566-21-3 ) is a useful research chemical.
Molecular Weight:	227.06
Molecular Formula:	C8H7BrN2O
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=C(N2)CO
InChI:	InChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChI Key:	MKWHLNKGLAEXPR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2020255414-A1	Cxcr4 inhibitors and uses thereof	20160621
US-10988465-B2	CXCR4 inhibitors and uses thereof	20160621
WO-2008016288-A1	Benzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamides as inhibitors of carbonic anhydrase and the intermediates for production thereof	20060802

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.97418
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	225.97418
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2