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88918-83-6 | C-{4-[N'-(3-Cyano-propylidene)-hydrazino]-phenyl}-N-methyl-methanesulfonamide
CAS No: 88918-83-6 Catalog No: AG00JSFY MDL No:
Product Description
Catalog Number:
AG00JSFY
Chemical Name:
C-{4-[N'-(3-Cyano-propylidene)-hydrazino]-phenyl}-N-methyl-methanesulfonamide
CAS Number:
88918-83-6
Molecular Formula:
C12H16N4O2S
Molecular Weight:
280.3460
IUPAC Name:
1-[4-[(2E)-2-(3-cyanopropylidene)hydrazinyl]phenyl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C12H16N4O2S/c1-14-19(17,18)10-11-4-6-12(7-5-11)16-15-9-3-2-8-13/h4-7,9,14,16H,2-3,10H2,1H3/b15-9+
InChI Key:
JTJRIYPOLMYNBR-OQLLNIDSSA-N
SMILES:
N#CCC/C=N/Nc1ccc(cc1)CS(=O)(=O)NC
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
280.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.346g/mol
Monoisotopic Mass:
280.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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