2',4'-Difluoroacetanilide - CAS 399-36-0

Catalog:	BB024210
Product Name:	2',4'-Difluoroacetanilide
CAS:	399-36-0
Synonyms:	N-(2,4-difluorophenyl)acetamide; N-(2,4-difluorophenyl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(2,4-difluorophenyl)acetamide
Description:	2',4'-Difluoroacetanilide (CAS# 399-36-0) is a useful research chemical.
Molecular Weight:	171.14
Molecular Formula:	C8H7F2NO
Canonical SMILES:	CC(=O)NC1=C(C=C(C=C1)F)F
InChI:	InChI=1S/C8H7F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChI Key:	WOHLPEUHFSHZAN-UHFFFAOYSA-N
Boiling Point:	276.8 °C at 760 mmHg
Density:	1.307 g/cm³
MDL:	MFCD00032502
LogP:	1.99620

Publication Number	Title	Priority Date
US-2017096435-A1	Sepiapterin reductase inhibitors	20150930
US-2016289171-A1	Ido inhibitors	20150403
US-2017231999-A1	Ido inhibitors	20150403
US-9790169-B2	IDO inhibitors	20150403
WO-2016144702-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150306

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GHS Hazard Statement:	H302 (84.44%): 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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.04957017
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.04957017
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4