4-Bromo-3-methylbenzyl Alcohol - CAS 149104-89-2

Catalog:	BB010374
Product Name:	4-Bromo-3-methylbenzyl Alcohol
CAS:	149104-89-2
Synonyms:	(4-bromo-3-methylphenyl)methanol; (4-bromo-3-methylphenyl)methanol

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Computed Properties

IUPAC Name:	(4-bromo-3-methylphenyl)methanol
Description:	4-Bromo-3-methylbenzyl Alcohol (CAS# 149104-89-2) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC1=C(C=CC(=C1)CO)Br
InChI:	InChI=1S/C8H9BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
InChI Key:	HBSHHYYUASJVCG-UHFFFAOYSA-N
Boiling Point:	282.701 °C at 760 mmHg
Density:	1.482 g/cm³
Appearance:	Solid
LogP:	2.24980

Publication Number	Title	Priority Date
US-2021171530-A1	Ion channel modulators	20191126
CN-110627775-A	Small molecule compound	20191024
WO-2021078023-A1	Small molecule compound	20191024
TW-202106676-A	Stat degraders and uses thereof	20190405
TW-202003492-A	Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith	20180423

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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:	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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1