Methyl 2,4-Dichlorobutanoate

CAT: 1299-RG-A261965-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261965-01Size:10 mg

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CAS Number

62093-65-6

Synonyms

Methyl 2,4-dichlorobutanoate

Molecular Formula

C5H8Cl2O2

Molecular Weight

171.02

Product Name Synonym

Methyl 2,4-dichlorobutanoate

Chemical Information

Methyl 2,4-dichlorobutanoate

CAS Number	62093-65-6
PubChem CID	548008
IUPAC Name	methyl 2,4-dichlorobutanoate
Molecular Formula	C5H8Cl2O2
Molecular Weight	171.02
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	95

SMILES

COC(=O)C(CCCl)Cl

InChI

InChI=1S/C5H8Cl2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3

InChIKey

MIXXUSQBRXDJHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62093-65-6

CID: 548008

Formula: C5H8Cl2O2

MW: 171.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.02
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	169.9901349
Monoisotopic Mass	169.9901349
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	95
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

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