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1015846-00-0 | 1H-Pyrazol-5-amine, 1-[[2-(trifluoromethyl)phenyl]methyl]-
CAS No: 1015846-00-0 Catalog No: AG0004W7 MDL No:MFCD08457376
Product Description
Catalog Number:
AG0004W7
Chemical Name:
1H-Pyrazol-5-amine, 1-[[2-(trifluoromethyl)phenyl]methyl]-
CAS Number:
1015846-00-0
Molecular Formula:
C11H10F3N3
Molecular Weight:
241.2124
MDL Number:
MFCD08457376
IUPAC Name:
2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
InChI:
InChI=1S/C11H10F3N3/c12-11(13,14)9-4-2-1-3-8(9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChI Key:
FRVGKUCNEILPOV-UHFFFAOYSA-N
SMILES:
Nc1ccnn1Cc1ccccc1C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.217g/mol
Monoisotopic Mass:
241.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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