(4-Bromo-1,2-phenylene)dimethanol - CAS 171011-37-3

Name: (4-Bromo-1,2-phenylene)dimethanol
Brand: BOC Sciences
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Catalog:	BB012697
Product Name:	(4-Bromo-1,2-phenylene)dimethanol
CAS:	171011-37-3
Synonyms:	[4-bromo-2-(hydroxymethyl)phenyl]methanol; [4-bromo-2-(hydroxymethyl)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[4-bromo-2-(hydroxymethyl)phenyl]methanol
Description:	(4-Bromo-1,2-phenylene)dimethanol (CAS# 171011-37-3) is a useful research chemical.
Molecular Weight:	217.06
Molecular Formula:	C8H9BrO2
Canonical SMILES:	C1=CC(=C(C=C1Br)CO)CO
InChI:	InChI=1S/C8H9BrO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5H2
InChI Key:	GFQKHXCSNFITHX-UHFFFAOYSA-N
LogP:	1.43370

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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

Publication Number	Title	Priority Date
CN-111039981-A	Compound, salt or solvate thereof and application thereof	20191226
WO-2020216240-A1	Dicyclic alkane compound useful as inhibitor of plasma kallikrein	20190422
US-2021024605-A1	Cyclic peptide analogs of melanocortin and amanitin and methods of making such	20190301
CN-107753468-B	Bis- (the bromo- 4,5- dihydroxy of 2,3,6- tri-) ethers are preparing the application in aldose reductase inhibitor product	20171018
AU-2017300123-A1	Isoquinoline derivatives as PERK inhibitors	20160720

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.97859
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8