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918311-88-3 | Benzenesulfonamide, N-(cyanomethyl)-4-iodo-
CAS No: 918311-88-3 Catalog No: AG006T1P MDL No:
Product Description
Catalog Number:
AG006T1P
Chemical Name:
Benzenesulfonamide, N-(cyanomethyl)-4-iodo-
CAS Number:
918311-88-3
Molecular Formula:
C8H7IN2O2S
Molecular Weight:
322.1228
IUPAC Name:
N-(cyanomethyl)-4-iodobenzenesulfonamide
InChI:
InChI=1S/C8H7IN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,6H2
InChI Key:
QMVHIIGIJRQUCX-UHFFFAOYSA-N
SMILES:
N#CCNS(=O)(=O)c1ccc(cc1)I
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.927g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.12g/mol
Monoisotopic Mass:
321.927g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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