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Dabsyl chloride 5mg

CAT: 0628-A19755-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19755-5Size:5 mg
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CAS Number
56512-49-3

Chemical Information

Dabsyl chloride

See also: 4-N,N-Dimethylaminoazobenzene-4'-sulfonyl chloride (annotation moved to).

CAS Number56512-49-3
PubChem CID91660
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.8
XLogP4.6
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity445
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3
InChIKey
VTVWTPGLLAELLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dabsyl chloride
CAS: 56512-49-3
CID: 91660
Formula: C14H14ClN3O2S
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass323.0495256
Monoisotopic Mass323.0495256
Topological Polar Surface Area70.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity445
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