Cefoperazone Impurity 2

CAT: 1299-RM-C061727-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C061727-03Size:50 mg

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CAS Number

59703-00-3

Synonyms

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride

Molecular Formula

C7H9ClN2O3

Molecular Weight

204.61

Target Alternative Name

Cefoperazone

Product Name Synonym

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride

Chemical Information

4-Ethyl-2,3-dioxopiperazinecarbonyl chloride

CAS Number	59703-00-3
PubChem CID	108813
IUPAC Name	4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
Molecular Formula	C7H9ClN2O3
Molecular Weight	204.61
XLogP	0.6
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	266

SMILES

CCN1CCN(C(=O)C1=O)C(=O)Cl

InChI

InChI=1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3

InChIKey

SXVBQOZRZIUHKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59703-00-3

CID: 108813

Formula: C7H9ClN2O3

MW: 204.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.61
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	204.0301698
Monoisotopic Mass	204.0301698
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	266
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