Dapsone Impurity 15

CAT: 1299-RM-D011615-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D011615-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

80-00-2

Synonyms

1-chloro-4- (phenylsulfonyl) benzene

Molecular Formula

C12H9ClO2S

Molecular Weight

252.72

Target Alternative Name

Dapsone

Product Name Synonym

1-chloro-4- (phenylsulfonyl) benzene

Chemical Information

Sulphenone

CAS Number	80-00-2
PubChem CID	6621
IUPAC Name	1-(benzenesulfonyl)-4-chlorobenzene
Molecular Formula	C12H9ClO2S
Molecular Weight	252.72
XLogP	3.1
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	306

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

InChIKey

OFCFYWOKHPOXKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80-00-2

CID: 6621

Formula: C12H9ClO2S

MW: 252.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.72
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	252.0011784
Monoisotopic Mass	252.0011784
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306
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