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Home > Fluorides > 1393125-56-8
1393125-56-8 | 1H-Pyrazole, 1-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS No: 1393125-56-8 Catalog No: AG001APY MDL No:MFCD28023542
Product Description
Catalog Number:
AG001APY
Chemical Name:
1H-Pyrazole, 1-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS Number:
1393125-56-8
Molecular Formula:
C10H6F3N3O2
Molecular Weight:
257.1687
MDL Number:
MFCD28023542
IUPAC Name:
1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H6F3N3O2/c11-10(12,13)7-5-14-15(6-7)8-1-3-9(4-2-8)16(17)18/h1-6H
InChI Key:
UYTHUHCQEWRQLK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1)C(F)(F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.172g/mol
Monoisotopic Mass:
257.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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