3-Bromo-4-(hydroxymethyl)benzonitrile - CAS 90110-98-8

Catalog:	BB039765
Product Name:	3-Bromo-4-(hydroxymethyl)benzonitrile
CAS:	90110-98-8
Synonyms:	3-bromo-4-(hydroxymethyl)benzonitrile; 3-bromo-4-(hydroxymethyl)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-4-(hydroxymethyl)benzonitrile
Description:	3-Bromo-4-(hydroxymethyl)benzonitrile (CAS# 90110-98-8) is a useful research chemical.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	C1=CC(=C(C=C1C#N)Br)CO
InChI:	InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key:	LMKVEJWFFPCGJC-UHFFFAOYSA-N
LogP:	1.81308

Publication Number	Title	Priority Date
US-2020407375-A1	Protective groups and methods for protecting benzoxaboroles or oxaboroles	20180309
AU-2014323822-A1	Immune adjustment compound, use thereof and pharmaceutical composition comprising same	20130922
AU-2014323822-B2	Immune adjustment compound, use thereof and pharmaceutical composition comprising same	20130922
CA-2928300-A1	Immune adjustment compound, use thereof and pharmaceutical composition comprising same	20130922
EP-3048103-A1	Immune adjustment compound, use thereof and pharmaceutical composition comprising same	20130922

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	44
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4