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Venetoclax Impurity 14

CAT: 1299-RM-V051414-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051414-01Size:10 mg
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CAS Number
1261761-91-4
Synonyms
2-chloro-3-nitrobenzenesulfonamide
Molecular Formula
C6H5ClN2O4S
Molecular Weight
236.63
Target Alternative Name
Venetoclax
Product Name Synonym
2-chloro-3-nitrobenzenesulfonamide

Chemical Information

2-Chloro-3-nitrobenzenesulfonamide
CAS Number1261761-91-4
PubChem CID66710064
IUPAC Name2-chloro-3-nitrobenzenesulfonamide
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.63
XLogP0.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity320
SMILES
C1=CC(=C(C(=C1)S(=O)(=O)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O4S/c7-6-4(9(10)11)2-1-3-5(6)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKey
YSJPYCOLWBGBRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-nitrobenzenesulfonamide
CAS: 1261761-91-4
CID: 66710064
Formula: C6H5ClN2O4S
MW: 236.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.63
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass235.9658555
Monoisotopic Mass235.9658555
Topological Polar Surface Area114 Ų
Heavy Atom Count14
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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