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1000576-12-4 | 5-(4'-Fluorobiphenyl-4-sulfonyl)-1-methyl-4-nitro-1H-imidazole
CAS No: 1000576-12-4 Catalog No: AG01F63Z MDL No:
Product Description
Catalog Number:
AG01F63Z
Chemical Name:
5-(4'-Fluorobiphenyl-4-sulfonyl)-1-methyl-4-nitro-1H-imidazole
CAS Number:
1000576-12-4
Molecular Formula:
C16H12FN3O4S
Molecular Weight:
361.3476
IUPAC Name:
5-[4-(4-fluorophenyl)phenyl]sulfonyl-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C16H12FN3O4S/c1-19-10-18-15(20(21)22)16(19)25(23,24)14-8-4-12(5-9-14)11-2-6-13(17)7-3-11/h2-10H,1H3
InChI Key:
OWUMWJWEXHWAMJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ccc(cc1)S(=O)(=O)c1n(C)cnc1[N+](=O)[O-]
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.053g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.347g/mol
Monoisotopic Mass:
361.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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