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77927-55-0 | Benzenesulfonyl isocyanate, 2-[(dimethylamino)sulfonyl]-
CAS No: 77927-55-0 Catalog No: AG005EG6 MDL No:
Product Description
Catalog Number:
AG005EG6
Chemical Name:
Benzenesulfonyl isocyanate, 2-[(dimethylamino)sulfonyl]-
CAS Number:
77927-55-0
Molecular Formula:
C9H10N2O5S2
Molecular Weight:
290.3161
IUPAC Name:
2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide
InChI:
InChI=1S/C9H10N2O5S2/c1-11(2)18(15,16)9-6-4-3-5-8(9)17(13,14)10-7-12/h3-6H,1-2H3
InChI Key:
BDUGEGRLSBCJTH-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.308g/mol
Monoisotopic Mass:
290.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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