3-(2-Chlorophenyl)-2-cyanopropionic Acid - CAS 14650-19-2

Catalog:	BB010092
Product Name:	3-(2-Chlorophenyl)-2-cyanopropionic Acid
CAS:	14650-19-2
Synonyms:	3-(2-chlorophenyl)-2-cyanopropanoic acid; 3-(2-chlorophenyl)-2-cyanopropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(2-chlorophenyl)-2-cyanopropanoic acid
Description:	3-(2-Chlorophenyl)-2-cyanopropionic Acid (CAS# 14650-19-2) is a useful research chemical.
Molecular Weight:	209.63
Molecular Formula:	C10H8ClNO2
Canonical SMILES:	C1=CC=C(C(=C1)CC(C#N)C(=O)O)Cl
InChI:	InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)
InChI Key:	KSLANAUEYUSFCF-UHFFFAOYSA-N
Boiling Point:	387.5 °C at 760 mmHg
Density:	1.347 g/cm³
MDL:	MFCD00021688
LogP:	2.10688

Publication Number	Title	Priority Date
CZ-20004923-A3	Paroxetine salts	19980702
EP-1091958-A1	Salts of paroxetine	19980702
HU-0103712-A2	Paroxetine salts, a process for their preparation and their therapeutic use	19980702
KR-20010053337-A	Salts of Paroxetine	19980702
SK-20242000-A3	PAROXETINE SALT, METHOD OF ITS PREPARATION AND USE	19980702

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0243562
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.0243562
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3