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Home > Fluorides > 1276541-94-6
1276541-94-6 | 1H-Pyrazole-3-carboxamide, 5-(trifluoromethyl)-
CAS No: 1276541-94-6 Catalog No: AG000X9A MDL No:MFCD12030791
Product Description
Catalog Number:
AG000X9A
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-(trifluoromethyl)-
CAS Number:
1276541-94-6
Molecular Formula:
C5H4F3N3O
Molecular Weight:
179.1000
MDL Number:
MFCD12030791
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
InChI:
InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2(4(9)12)10-11-3/h1H,(H2,9,12)(H,10,11)
InChI Key:
ZGCQBYSIGOKBNS-UHFFFAOYSA-N
SMILES:
NC(=O)c1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.102g/mol
Monoisotopic Mass:
179.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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