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1773-41-7 | Benzenesulfonyl isocyanate, 4-isocyanato-
CAS No: 1773-41-7 Catalog No: AG002586 MDL No:
Product Description
Catalog Number:
AG002586
Chemical Name:
Benzenesulfonyl isocyanate, 4-isocyanato-
CAS Number:
1773-41-7
Molecular Formula:
C8H4N2O4S
Molecular Weight:
224.1934
IUPAC Name:
4-isocyanato-N-(oxomethylidene)benzenesulfonamide
InChI:
InChI=1S/C8H4N2O4S/c11-5-9-7-1-3-8(4-2-7)15(13,14)10-6-12/h1-4H
InChI Key:
CEZWFBJCEWZGHX-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(=O)(=O)N=C=O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.19g/mol
Monoisotopic Mass:
223.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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