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120116-87-2 | 1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-phenyl-
CAS No: 120116-87-2 Catalog No: AG000QCB MDL No:
Product Description
Catalog Number:
AG000QCB
Chemical Name:
1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-phenyl-
CAS Number:
120116-87-2
Molecular Formula:
C12H11ClN4O2S
Molecular Weight:
310.7593
IUPAC Name:
4-chloro-2-cyano-N,N-dimethyl-5-phenylimidazole-1-sulfonamide
InChI:
InChI=1S/C12H11ClN4O2S/c1-16(2)20(18,19)17-10(8-14)15-12(13)11(17)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
DNYQVSBOGCMIDZ-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccccc1)Cl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.756g/mol
Monoisotopic Mass:
310.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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