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1935287-49-2 | 3-(cyanomethyl)-N-methylbenzene-1-sulfonamide
CAS No: 1935287-49-2 Catalog No: AG01DQIW MDL No:MFCD31458614
Product Description
Catalog Number:
AG01DQIW
Chemical Name:
3-(cyanomethyl)-N-methylbenzene-1-sulfonamide
CAS Number:
1935287-49-2
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD31458614
IUPAC Name:
3-(cyanomethyl)-N-methylbenzenesulfonamide
InChI:
InChI=1S/C9H10N2O2S/c1-11-14(12,13)9-4-2-3-8(7-9)5-6-10/h2-4,7,11H,5H2,1H3
InChI Key:
INBVYAVUURUFFZ-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)S(=O)(=O)NC
Properties
Complexity:
323
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:
0
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