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o-Chloramine T

CAT: 0572-TRC-C315165-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C315165-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110076-44-3
Hazard Statement
No Data Available
Smiles
[Na+].Cc1ccccc1S(=O)(=O)[N-]Cl
Molecular Formula
C7 H7 Cl N O2 S . Na
Molecular Weight
227.644
InChI
InChI=1S/C7H7ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
Additionnal Information
IUPAC name: sodium;chloro-(2-methylphenyl)sulfonylazanide
Shipping Conditions
Room Temperature

Chemical Information

o-Chloramine T
CAS Number110076-44-3
PubChem CID44630209
IUPAC Namesodium chloro-(2-methylphenyl)sulfonylazanide
Molecular FormulaC7H7ClNNaO2S
Molecular Weight227.64
Topological Polar Surface Area43.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity239
SMILES
CC1=CC=CC=C1S(=O)(=O)[N-]Cl.[Na+]
InChI
InChI=1S/C7H7ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKey
BMVGZYMMLBPFDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Chloramine T
CAS: 110076-44-3
CID: 44630209
Formula: C7H7ClNNaO2S
MW: 227.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.64
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass226.9783716
Monoisotopic Mass226.9783716
Topological Polar Surface Area43.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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