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88961-77-7 | Benzenesulfonamide, 4-(2-cyanoethyl)-
CAS No: 88961-77-7 Catalog No: AG0046JA MDL No:
Product Description
Catalog Number:
AG0046JA
Chemical Name:
Benzenesulfonamide, 4-(2-cyanoethyl)-
CAS Number:
88961-77-7
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
IUPAC Name:
4-(2-cyanoethyl)benzenesulfonamide
InChI:
InChI=1S/C9H10N2O2S/c10-7-1-2-8-3-5-9(6-4-8)14(11,12)13/h3-6H,1-2H2,(H2,11,12,13)
InChI Key:
QTYYFUAWZZWHIW-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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