Methyl 4-Chlorobutyrate

CAT: 1299-RG-M010200-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M010200-01Size:10 mg

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CAS Number

3153-37-5

Synonyms

4-Chlorobutyric Acid Methyl Ester

Molecular Formula

C5H9ClO2

Molecular Weight

136.58

Product Name Synonym

4-Chlorobutyric Acid Methyl Ester

Chemical Information

Butanoic acid, 4-chloro-, methyl ester

CAS Number	3153-37-5
PubChem CID	76612
IUPAC Name	methyl 4-chlorobutanoate
Molecular Formula	C5H9ClO2
Molecular Weight	136.58
XLogP	1.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

COC(=O)CCCCl

InChI

InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

InChIKey

ZZUYIRISBMWFMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3153-37-5

CID: 76612

Formula: C5H9ClO2

MW: 136.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.58
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	136.0291072
Monoisotopic Mass	136.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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