2- (3-Chlorophenyl) butanoic acid

CAT: 0926-NHA01455-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NHA01455-01Size:50 mg

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CAS Number

188014-55-3

MDL Number

MFCD16304635

Smiles

CCC (C1=CC (=CC=C1) Cl) C (=O) O

Molecular Formula

C10H11ClO2

Molecular Weight

198.64 g/mol

Controlled

Chemical Information

2-(3-Chlorophenyl)butanoic acid

CAS Number	188014-55-3
PubChem CID	53447123
IUPAC Name	2-(3-chlorophenyl)butanoic acid
Molecular Formula	C10H11ClO2
Molecular Weight	198.64
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CCC(C1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C10H11ClO2/c1-2-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13)

InChIKey

MLUSBOPUEWAMEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188014-55-3

CID: 53447123

Formula: C10H11ClO2

MW: 198.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.64
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	198.0447573
Monoisotopic Mass	198.0447573
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XAA99105-01	4- (3-Chlorophenyl) butanoic acid
EBA64500-01	2- (4-chlorophenyl) butanoic acid
QCA05472-01	2-[ (2-Chlorophenyl) formamido]-4- (methylsulfanyl) butanoic acid
WYB72320-01	4-{[ (2-Chlorophenyl) methyl]amino}butanoic acid hydrochloride
EBA19363-01	4-[ (4-Chlorophenyl) sulfanyl]butanoic acid
WFC96368-01	4-Carbamoyl-2-[ (4-chlorophenyl) formamido]butanoic acid
VWB55019-01	4-{[ (3-Chlorophenyl) methyl]amino}butanoic acid hydrochloride
CVD03193-01	4-Amino-4- (3-chlorophenyl) butanoic acid hydrochloride
SRB81530-01	3- (2-Fluorophenyl) butanoic acid
RCA19208	3- (2-Bromophenyl) butanoic acid

Catalog	Name
OR83163-01	3- (2-Chlorophenyl) butanoic acid
OR1050705-01	4- (3-Chlorophenyl) butanoic acid
sc-348000	4- (4-chlorophenyl) butanoic acid
OR1052988-01	2- (4-Chlorophenyl) butanoic acid
sc-341121	2-amino-2- (3-chlorophenyl) butanoic acid
sc-348934A	4-{[ (3-chlorophenyl) methyl]amino}butanoic acid hydrochloride
OR1056115-01	(R) -3-Amino-4- (4-chlorophenyl) butanoic acid
sc-285664	Fmoc-4-Amino-3- (4-chlorophenyl) butanoic acid)
OR1042590-01	(S) -3-Amino-4- (3-chlorophenyl) butanoic acid hydrochloride
OR1056538-01	(R) -3-Amino-4- (3-chlorophenyl) butanoic acid hydrochloride