2-(Difluoromethoxy)-4-fluoroaniline - CAS 832740-98-4

Catalog:	BB037007
Product Name:	2-(Difluoromethoxy)-4-fluoroaniline
CAS:	832740-98-4
Synonyms:	2-(difluoromethoxy)-4-fluoroaniline; 2-(difluoromethoxy)-4-fluoroaniline

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Computed Properties

IUPAC Name:	2-(difluoromethoxy)-4-fluoroaniline
Description:	2-(Difluoromethoxy)-4-fluoroaniline (CAS# 832740-98-4) is a useful research chemical.
Molecular Weight:	177.12
Molecular Formula:	C7H6F3NO
Canonical SMILES:	C1=CC(=C(C=C1F)OC(F)F)N
InChI:	InChI=1S/C7H6F3NO/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7H,11H2
InChI Key:	YNDSRZNRALJMIX-UHFFFAOYSA-N
MDL:	MFCD04969924
LogP:	2.59050

Publication Number	Title	Priority Date
CN-111747950-A	Pyrimidine derivatives for the treatment of cancer	20190329
WO-2020200158-A1	N-heteroaromatic amide derivatives for treatment of cancer	20190329
TW-202005967-A	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20180705
CA-3068854-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20170705
CN-111093645-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20170705

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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:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.04014830
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.04014830
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3