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1773-42-8 | Benzenesulfonamide, 4-isocyanato-
CAS No: 1773-42-8 Catalog No: AG002585 MDL No:
Product Description
Catalog Number:
AG002585
Chemical Name:
Benzenesulfonamide, 4-isocyanato-
CAS Number:
1773-42-8
Molecular Formula:
C7H6N2O3S
Molecular Weight:
198.1991
IUPAC Name:
4-isocyanatobenzenesulfonamide
InChI:
InChI=1S/C7H6N2O3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H,(H2,8,11,12)
InChI Key:
IYSAYSBNKDUNKZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.196g/mol
Monoisotopic Mass:
198.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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