Rivaroxaban Impurity 109

CAT: 1299-RM-R210309-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R210309-01Size:10 mg

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CAS Number

89281-29-8

Synonyms

Methyl 4,5-dichlorothiophene-2-carboxylate

Molecular Formula

C6H4Cl2O2S

Molecular Weight

211.07

Target Alternative Name

Rivaroxaban

Product Name Synonym

Methyl 4,5-dichlorothiophene-2-carboxylate

Chemical Information

Methyl 4,5-dichlorothiophene-2-carboxylate

CAS Number	89281-29-8
PubChem CID	70701052
IUPAC Name	methyl 4,5-dichlorothiophene-2-carboxylate
Molecular Formula	C6H4Cl2O2S
Molecular Weight	211.06
XLogP	3.4
Topological Polar Surface Area	54.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

COC(=O)C1=CC(=C(S1)Cl)Cl

InChI

InChI=1S/C6H4Cl2O2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3

InChIKey

GOBRIDHOJYOFTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89281-29-8

CID: 70701052

Formula: C6H4Cl2O2S

MW: 211.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.06
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	209.9309059
Monoisotopic Mass	209.9309059
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
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