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Home > Sulfanilamide > 850154-78-8
850154-78-8 | 2-CYANO-3-METHYLBENZENE-1-SULFONAMIDE
CAS No: 850154-78-8 Catalog No: AG01B360 MDL No:MFCD18394310
Product Description
Catalog Number:
AG01B360
Chemical Name:
2-CYANO-3-METHYLBENZENE-1-SULFONAMIDE
CAS Number:
850154-78-8
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD18394310
IUPAC Name:
2-cyano-3-methylbenzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-6-3-2-4-8(7(6)5-9)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChI Key:
AHJDVNVLJKOTQX-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cccc1S(=O)(=O)N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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