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20805-57-6 | Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-
CAS No: 20805-57-6 Catalog No: AG002JG9 MDL No:
Product Description
Catalog Number:
AG002JG9
Chemical Name:
Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-
CAS Number:
20805-57-6
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
IUPAC Name:
4-isocyanato-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C9H10N2O3S/c1-11(2)15(13,14)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChI Key:
VGKJNJRGKLXWBT-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(=O)(=O)N(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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