3,5-Difluoro-4-nitrobenzyl Alcohol - CAS 1123172-89-3

Catalog:	BB002941
Product Name:	3,5-Difluoro-4-nitrobenzyl Alcohol
CAS:	1123172-89-3
Synonyms:	(3,5-difluoro-4-nitrophenyl)methanol; (3,5-difluoro-4-nitrophenyl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(3,5-difluoro-4-nitrophenyl)methanol
Description:	3,5-Difluoro-4-nitrobenzyl Alcohol (CAS# 1123172-89-3) is a useful research chemical.
Molecular Weight:	189.12
Molecular Formula:	C7H5F2NO3
Canonical SMILES:	C1=C(C=C(C(=C1F)[N+](=O)[O-])F)CO
InChI:	InChI=1S/C7H5F2NO3/c8-5-1-4(3-11)2-6(9)7(5)10(12)13/h1-2,11H,3H2
InChI Key:	MWMXVSGWUYOLQS-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	1.88850

Publication Number	Title	Priority Date
WO-2020098516-A1	Use of 4-(benzothiazole-2-yl)arylamine compound in treating stomach cancer	20181112
AU-2009268024-A1	Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors	20080710
CA-2730003-A1	Cyclic sulfones with aminobenzyl substitution useful as bace inhibitors	20080710
EP-2303857-A1	Cyclic sulfones with aminobenzyl substitution useful as bace inhibitors	20080710
JP-2011527311-A	Aminobenzyl-substituted cyclic sulfone derivatives useful as BACE inhibitors	20080710

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.02374935
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.02374935
Rotatable Bond Count:	1
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1