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178556-79-1 | 1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-
CAS No: 178556-79-1 Catalog No: AG00265M MDL No:MFCD09945170
Product Description
Catalog Number:
AG00265M
Chemical Name:
1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-
CAS Number:
178556-79-1
Molecular Formula:
C9H7F3N4
Molecular Weight:
228.1739
MDL Number:
MFCD09945170
IUPAC Name:
5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16)
InChI Key:
OPCMOBZOGLGRKI-UHFFFAOYSA-N
SMILES:
Nc1[nH]nc(n1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
228.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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