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1254717-53-7 | 1H-Pyrazole-3-methanamine, 5-(trifluoromethyl)-
CAS No: 1254717-53-7 Catalog No: AG000NPG MDL No:MFCD18262366
Product Description
Catalog Number:
AG000NPG
Chemical Name:
1H-Pyrazole-3-methanamine, 5-(trifluoromethyl)-
CAS Number:
1254717-53-7
Molecular Formula:
C5H6F3N3
Molecular Weight:
165.1164
MDL Number:
MFCD18262366
IUPAC Name:
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
InChI:
InChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11)
InChI Key:
LLYMWMOKKONGOI-UHFFFAOYSA-N
SMILES:
NCc1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.119g/mol
Monoisotopic Mass:
165.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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