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20228-87-9 | N-(cyanomethyl)-4-methylbenzenesulfonamide
CAS No: 20228-87-9 Catalog No: AG01DJNH MDL No:MFCD00461012
Product Description
Catalog Number:
AG01DJNH
Chemical Name:
N-(cyanomethyl)-4-methylbenzenesulfonamide
CAS Number:
20228-87-9
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD00461012
IUPAC Name:
N-(cyanomethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C9H10N2O2S/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10/h2-5,11H,7H2,1H3
InChI Key:
KOOBRRKKRKKSMZ-UHFFFAOYSA-N
SMILES:
N#CCNS(=O)(=O)c1ccc(cc1)C
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:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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