Cefaclor Impurity 13

CAT: 1596-AR-C06440-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06440-01Size:10 Units

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CAS Number

108260-07-7

Molecular Formula

C7H7ClN2O3S

Molecular Weight

234.65

API Name

Cefaclor

Chemical Information

(6R,7S)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Number	108260-07-7
PubChem CID	6998923
IUPAC Name	(6R,7S)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C7H7ClN2O3S
Molecular Weight	234.66
XLogP	-2.8
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	357

SMILES

C1C(=C(N2[C@H](S1)[C@H](C2=O)N)C(=O)O)Cl

InChI

InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6+/m0/s1

InChIKey

OQSAFIZCBAZPMY-BBIVZNJYSA-N

Chemical Structure

2D Structure

CAS: 108260-07-7

CID: 6998923

Formula: C7H7ClN2O3S

MW: 234.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.66
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	233.9865910
Monoisotopic Mass	233.9865910
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C01643-01	Cefaclor Impurity 8 (Cefaclor dimer)
AR-C06442-01	Cefaclor Impurity 15
AR-C06441-01	Cefaclor Impurity 14
AR-C06448-01	Cefaclor Impurity 21
AR-C01631-01	Cefaclor impurity E
AR-C06447-01	Cefaclor Impurity 20
AR-C06445-01	Cefaclor Impurity 18
AR-C06449-01	Cefaclor Impurity 22
AR-C06446-01	Cefaclor Impurity 19
AR-C06443-01	Cefaclor Impurity 16