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209224-91-9 | 1H-Pyrazol-3-amine, 5-[3-(trifluoromethyl)phenyl]-
CAS No: 209224-91-9 Catalog No: AG002K3Y MDL No:MFCD04110829
Product Description
Catalog Number:
AG002K3Y
Chemical Name:
1H-Pyrazol-3-amine, 5-[3-(trifluoromethyl)phenyl]-
CAS Number:
209224-91-9
Molecular Formula:
C10H8F3N3
Molecular Weight:
227.1858
MDL Number:
MFCD04110829
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
InChI:
InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
InChI Key:
UKCQZEKREUKMTN-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.19g/mol
Monoisotopic Mass:
227.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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