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Home > Fluorides > 1269291-12-4
1269291-12-4 | 1H-Pyrazole, 1-(2-nitrophenyl)-5-(trifluoromethyl)-
CAS No: 1269291-12-4 Catalog No: AG000TIH MDL No:MFCD20275406
Product Description
Catalog Number:
AG000TIH
Chemical Name:
1H-Pyrazole, 1-(2-nitrophenyl)-5-(trifluoromethyl)-
CAS Number:
1269291-12-4
Molecular Formula:
C10H6F3N3O2
Molecular Weight:
257.1687
MDL Number:
MFCD20275406
IUPAC Name:
1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H6F3N3O2/c11-10(12,13)9-5-6-14-15(9)7-3-1-2-4-8(7)16(17)18/h1-6H
InChI Key:
VGGROQRTRZAKBJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1nccc1C(F)(F)F
Properties
Complexity:
319
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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