2,4-Dichlorobutanoic Acid

CAT: 1299-RG-D090610-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D090610-01Size:10 mg

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CAS Number

18017-35-1

Synonyms

2,4-dichlorobutanoic acid

Molecular Formula

C4H6Cl2O2

Molecular Weight

156.99

Target Alternative Name

Levetiracetam

Product Name Synonym

2,4-dichlorobutanoic acid

Chemical Information

2,4-Dichlorobutanoic acid

CAS Number	18017-35-1
PubChem CID	12647097
IUPAC Name	2,4-dichlorobutanoic acid
Molecular Formula	C4H6Cl2O2
Molecular Weight	156.99
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	84

SMILES

C(CCl)C(C(=O)O)Cl

InChI

InChI=1S/C4H6Cl2O2/c5-2-1-3(6)4(7)8/h3H,1-2H2,(H,7,8)

InChIKey

PBXMTUXTVCDLLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18017-35-1

CID: 12647097

Formula: C4H6Cl2O2

MW: 156.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.99
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	155.9744848
Monoisotopic Mass	155.9744848
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.1
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
RM-L100002-01	Lithocholic Acid-2,2,4,4-D4
RM-G123302-01	Glycodeoxycholic-2,2,4,4-D4 Acid
RM-G121504-01	Glycocholic-2,2,4,4-D4 Acid
RM-G122901-01	Glycoursodeoxycholic-2,2,4,4-D4 Acid
RG-C092005-01	Citric-2,2,4,4-D4 Acid
RM-D221003-01	Deoxycholic Acid-2,2,4,4-D4
RM-C080308-01	Cholic Acid-2,2,4,4-D4
RG-A262979-01	2,4-Dimethylbenzenesulfonic Acid
RG-A261610-01	2,4-Dichloronicotinic Acid
RG-P051803-01	4,4'- (Perfluoropropane-2,2-Diyl) Dibenzoic Acid

Catalog	Name
TRC-D362110-1G	2,4-Dichlorobutanoic acid
AQ A3 0014-01	2,2,4,4-tetramethylpentanedioic acid
465499-01	S-4,4-Difluoropyrrolidine-2-carboxylic acid 2,2,2-trifluoroacetic acid
PC6859	2,2-Dibromo-4,4,4-trifluorobutanoic acid
PMB39907-01	2,2-Dimethyl-4,4,4-trifluorobutanoic acid
PC408093-01	2,2,3,4,4,4-Hexafluorobutyric acid
AAA86672-01	2,2,4-Trimethylpentanoic acid
B2865-83	4-Bromopicolinic Acid (4-Bromo-2-pyridinecarboxylic Acid)
433597-01	4,4'-Difluorobiphenyl-2,2'-dicarboxylic acid
264494	2,2'-Biquinoline-4,4'-dicarboxylic acid