3-Bromo-5-methylbenzyl Alcohol - CAS 648439-19-4

Catalog:	BB032570
Product Name:	3-Bromo-5-methylbenzyl Alcohol
CAS:	648439-19-4
Synonyms:	(3-bromo-5-methylphenyl)methanol; (3-bromo-5-methylphenyl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-bromo-5-methylphenyl)methanol
Description:	3-Bromo-5-methylbenzyl Alcohol (CAS# 648439-19-4) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC1=CC(=CC(=C1)Br)CO
InChI:	InChI=1S/C8H9BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-4,10H,5H2,1H3
InChI Key:	BDWFMACVHHSBRM-UHFFFAOYSA-N
LogP:	2.24980

Publication Number	Title	Priority Date
WO-2021170774-A1	New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them	20200228
CN-110963886-A	Method for preparing aromatic alcohol by photocatalytic aromatic aldehyde conversion	20191112
WO-2017158151-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20160318
US-2018118680-A1	Substituted heterocyclic sulfonamide compounds useful as trpa1 modulators	20131011
US-2020048197-A1	Substituted heterocyclic sulfonamide compounds useful as trpa1 modulators	20131011

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Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.98368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1