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2-Chlorobenzenesulfonamide

CAT: 0572-TRC-C429123-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C429123-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6961-82-6
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
C1=CC=C(C(=C1)Cl)S(=O)(=O)N
Molecular Formula
C6H6ClNO2S
Molecular Weight
191.64
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Chlorobenzenesulfonamide
CAS Number6961-82-6
PubChem CID81410
IUPAC Name2-chlorobenzenesulfonamide
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64
XLogP0.7
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity221
SMILES
C1=CC=C(C(=C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
JCCBZCMSYUSCFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorobenzenesulfonamide
CAS: 6961-82-6
CID: 81410
Formula: C6H6ClNO2S
MW: 191.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.64
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.9807773
Monoisotopic Mass190.9807773
Topological Polar Surface Area68.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity221
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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