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1418117-74-4 | 1H-Pyrazol-3-amine, 5-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1418117-74-4 Catalog No: AG001H89 MDL No:MFCD18633449
Product Description
Catalog Number:
AG001H89
Chemical Name:
1H-Pyrazol-3-amine, 5-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1418117-74-4
Molecular Formula:
C4H5ClF3N3
Molecular Weight:
187.5508
MDL Number:
MFCD18633449
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
InChI:
InChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,(H3,8,9,10);1H
InChI Key:
WHPUBYZDGHLJAW-UHFFFAOYSA-N
SMILES:
FC(c1[nH]nc(c1)N)(F)F.Cl
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.55g/mol
Monoisotopic Mass:
187.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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