4-Chloro-3-(difluoromethoxy)aniline - CAS 39211-54-6

Catalog:	BB023889
Product Name:	4-Chloro-3-(difluoromethoxy)aniline
CAS:	39211-54-6
Synonyms:	4-chloro-3-(difluoromethoxy)aniline; 4-chloro-3-(difluoromethoxy)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-3-(difluoromethoxy)aniline
Description:	4-Chloro-3-(difluoromethoxy)aniline (CAS# 39211-54-6) is a useful research chemical.
Molecular Weight:	193.58
Molecular Formula:	C7H6ClF2NO
Canonical SMILES:	C1=CC(=C(C=C1N)OC(F)F)Cl
InChI:	InChI=1S/C7H6ClF2NO/c8-5-2-1-4(11)3-6(5)12-7(9)10/h1-3,7H,11H2
InChI Key:	SUVIQAGOOXDQMH-UHFFFAOYSA-N
LogP:	3.10480

Publication Number	Title	Priority Date
AU-2017217542-A1	Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators	20160210
CA-3014314-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210
CN-109071488-A	Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator	20160210
EP-3414233-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210
JP-2019504854-A	Substituted 1,2,3-Triazoles as NR2B Selective NMDA Modulators	20160210

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0105978
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.0105978
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8