2- (4-Chlorophenyl) pentanoic acid

CAT: 0926-SBA22272-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SBA22272-01Size:50 mg

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CAS Number

42222-72-0

MDL Number

MFCD01911823

Smiles

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

Molecular Formula

C11H13ClO2

Molecular Weight

212.67 g/mol

Controlled

Chemical Information

2-(4-Chlorophenyl)pentanoic acid

CAS Number	42222-72-0
PubChem CID	54338645
IUPAC Name	2-(4-chlorophenyl)pentanoic acid
Molecular Formula	C11H13ClO2
Molecular Weight	212.67
XLogP	3.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C11H13ClO2/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h4-7,10H,2-3H2,1H3,(H,13,14)

InChIKey

TXILIAXAWMMBHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42222-72-0

CID: 54338645

Formula: C11H13ClO2

MW: 212.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.67
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	212.0604073
Monoisotopic Mass	212.0604073
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
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
LGA72512-01	5- (4-Chlorophenyl) pentanoic acid
BZB18174-01	2- (3-Chlorophenyl) pentanoic acid
SCA36840-01	4-Methyl-2- (4-methylbenzenesulfonamido) pentanoic acid
ADA97459-01	4- (Methylsulfanyl) pentanoic acid
KCC07962-01	4,4-Dimethyl-2- (methylamino) pentanoic acid
IJB49187-01	4-Methyl-2- (2-phenylethyl) pentanoic acid
AIA35020-01	4-Methyl-2- (2-methylphenyl) pentanoic acid
FAA69262-01	4-Methyl-2- (2-methylpropyl) pentanoic acid
GBA04207-01	4- (4-Bromophenyl) pentanoic acid
RDA76770-01	2- (4-Chloro-2-methylphenoxy) pentanoic acid

Catalog	Name
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TRC-C987560-1G	4-Cyano-4-(phenylcarbonothioylthio)pentanoic Acid
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RG-F122137-01	5- (4-Fluorophenyl) Pentanoic Acid
sc-480531	5- (4-Amidinophenoxy) pentanoic Acid