Cefcapene Impurity 17

CAT: 1596-AR-C06546-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-C06546-05Size:150

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CAS Number

265308-10-9

Molecular Formula

C8H11BrO3

Molecular Weight

235.08

API Name

Cefcapene

Chemical Information

Methyl 2-(bromoacetyl)pent-2-enoate

CAS Number	265308-10-9
PubChem CID	54346073
IUPAC Name	methyl 2-(2-bromoacetyl)pent-2-enoate
Molecular Formula	C8H11BrO3
Molecular Weight	235.07
XLogP	2.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

CCC=C(C(=O)CBr)C(=O)OC

InChI

InChI=1S/C8H11BrO3/c1-3-4-6(7(10)5-9)8(11)12-2/h4H,3,5H2,1-2H3

InChIKey

UCJWRLOFQOGOEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 265308-10-9

CID: 54346073

Formula: C8H11BrO3

MW: 235.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.07
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	233.98916
Monoisotopic Mass	233.98916
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes