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Chloramine-B

CAT: 0013-GTR19195089Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195089Size:25 mg
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Description
Chloramine-B
CAS Number
80-16-0
Smiles
O=S (=O) (NCl) C=1C=CC=CC1
Molecular Formula
C6H6ClNO2S
Molecular Weight
191.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Chlorobenzenesulfonamide
CAS Number80-16-0
PubChem CID31382
IUPAC NameN-chlorobenzenesulfonamide
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64
XLogP1.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity203
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCl
InChI
InChI=1S/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H
InChIKey
CHVZPRDGLWBEMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Chlorobenzenesulfonamide
CAS: 80-16-0
CID: 31382
Formula: C6H6ClNO2S
MW: 191.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.64
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass190.9807773
Monoisotopic Mass190.9807773
Topological Polar Surface Area54.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity203
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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