S (-) -Baclofen hydrochloride

CAT: 0024-sc-264246ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-264246ASize:100 mg

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CAS Number

63701-56-4

Chemical Information

Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-

CAS Number	63701-56-4
PubChem CID	44599
IUPAC Name	(3S)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
Molecular Formula	C10H13Cl2NO2
Molecular Weight	250.12
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

C1=CC(=CC=C1[C@H](CC(=O)O)CN)Cl.Cl

InChI

InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m1./s1

InChIKey

WMNUVYYLMCMHLU-DDWIOCJRSA-N

Chemical Structure

2D Structure

CAS: 63701-56-4

CID: 44599

Formula: C10H13Cl2NO2

MW: 250.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	250.12
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	249.0323340
Monoisotopic Mass	249.0323340
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes