2-(2,4-Difluorophenyl)propionic Acid - CAS 1250572-63-4

Catalog:	BB006053
Product Name:	2-(2,4-Difluorophenyl)propionic Acid
CAS:	1250572-63-4
Synonyms:	2-(2,4-difluorophenyl)propanoic acid; 2-(2,4-difluorophenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2,4-difluorophenyl)propanoic acid
Description:	2-(2,4-Difluorophenyl)propionic Acid (CAS# 1250572-63-4) is a useful research chemical.
Molecular Weight:	186.16
Molecular Formula:	C9H8F2O2
Canonical SMILES:	CC(C1=C(C=C(C=C1)F)F)C(=O)O
InChI:	InChI=1S/C9H8F2O2/c1-5(9(12)13)7-3-2-6(10)4-8(7)11/h2-5H,1H3,(H,12,13)
InChI Key:	MUQVSIADQYTHLW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2018140339-A1	Amide compounds and use thereof	20170124
AU-2017210803-A1	Indane derivatives as mGluR7 modulators	20160125
EP-3408256-A1	Indane derivatives as mglur7 modulators	20160125
US-2019031599-A1	Indane derivatives as mglur7 modulators	20160125
WO-2017131221-A1	Indane derivatives as mglur7 modulators	20160125

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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:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04923582
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.04923582
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2