2- (3-Chlorophenyl) propanoic acid

CAT: 0926-PAA16184-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-PAA16184-01Size:0.25 g

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CAS Number

14161-84-3

MDL Number

MFCD03412454

Smiles

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

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 g/mol

Controlled

Chemical Information

2-(3-Chlorophenyl)propanoic acid

CAS Number	14161-84-3
PubChem CID	13109535
IUPAC Name	2-(3-chlorophenyl)propanoic acid
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)

InChIKey

YRUBJDXEYFCYCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14161-84-3

CID: 13109535

Formula: C9H9ClO2

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	184.0291072
Monoisotopic Mass	184.0291072
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
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
ZDA58516-01	3-[ (2-Chlorophenyl) sulfanyl]propanoic acid
FC15448-01	3-Chlorophenyl-3-propanoic acid
LAC81605-01	3- (3-Bromo-2-chlorophenyl) propanoic acid
AAA93895-01	2- (4-Chlorophenyl) propanoic acid
LAC60954	3- (5-Bromo-2-chlorophenyl) propanoic acid
RCA19204-01	3- (2-Bromo-4-chlorophenyl) propanoic acid
XJB27812-01	2-Benzyl-3- (4-chlorophenyl) propanoic acid
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RCA19205-01	3- (2-bromo-5-chlorophenyl) propanoic acid
BAA13252-01	3-[ (3-Chlorophenyl) sulfanyl]propanoic acid

Catalog	Name
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sc-288870	3-[ (4-chlorophenyl) thio]propanoic acid
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