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Home > Fluorides > 114660-51-4
114660-51-4 | 1H-Imidazole, 4-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-
CAS No: 114660-51-4 Catalog No: AG000EYL MDL No:
Product Description
Catalog Number:
AG000EYL
Chemical Name:
1H-Imidazole, 4-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
114660-51-4
Molecular Formula:
C16H10F3N3O2
Molecular Weight:
333.2647
IUPAC Name:
4-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]imidazole
InChI:
InChI=1S/C16H10F3N3O2/c17-16(18,19)12-2-1-3-14(8-12)21-9-15(20-10-21)11-4-6-13(7-5-11)22(23)24/h1-10H
InChI Key:
CMFGQZPOPQJNHW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ncn(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.27g/mol
Monoisotopic Mass:
333.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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