Indapamide Impurity 12

CAT: 1299-RM-I041612-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I041612-02Size:25 mg

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CAS Number

604787-44-2

Synonyms

4-chloro-3- (ethoxysulfonyl) benzoic acid

Molecular Formula

C9H9ClO5S

Molecular Weight

264.68

Target Alternative Name

Indapamide

Product Name Synonym

4-chloro-3- (ethoxysulfonyl) benzoic acid

Chemical Information

Indapamide Impurity 14

CAS Number	604787-44-2
PubChem CID	58969230
IUPAC Name	4-chloro-3-ethoxysulfonylbenzoic acid
Molecular Formula	C9H9ClO5S
Molecular Weight	264.68
XLogP	1.7
Topological Polar Surface Area	89.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	347

SMILES

CCOS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C9H9ClO5S/c1-2-15-16(13,14)8-5-6(9(11)12)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,12)

InChIKey

CWSJAUHYYIEVOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 604787-44-2

CID: 58969230

Formula: C9H9ClO5S

MW: 264.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.68
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	263.9859223
Monoisotopic Mass	263.9859223
Topological Polar Surface Area	89.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	347
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