Levetiracetam Impurity 18

CAT: 1596-AR-L06971-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06971-01Size:10 Units

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CAS Number

79194-54-0

Synonyms

2,4-dichlorobutanoyl chloride

Molecular Formula

C4H5Cl3O

Molecular Weight

175.43

API Name

Levetiracetam

Chemical Information

2,4-Dichlorobutanoyl chloride

CAS Number	79194-54-0
PubChem CID	13954319
IUPAC Name	2,4-dichlorobutanoyl chloride
Molecular Formula	C4H5Cl3O
Molecular Weight	175.44
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	83

SMILES

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

InChI

InChI=1S/C4H5Cl3O/c5-2-1-3(6)4(7)8/h3H,1-2H2

InChIKey

UQMNNYSWBCOJHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79194-54-0

CID: 13954319

Formula: C4H5Cl3O

MW: 175.44

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.44
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	173.940598
Monoisotopic Mass	173.940598
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	83.4
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