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128694-66-6 | 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-
CAS No: 128694-66-6 Catalog No: AG000YBR MDL No:MFCD04970205
Product Description
Catalog Number:
AG000YBR
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-
CAS Number:
128694-66-6
Molecular Formula:
C7H7F3N2O2
Molecular Weight:
208.1379
MDL Number:
MFCD04970205
IUPAC Name:
2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H7F3N2O2/c1-2-12-4(6(13)14)3-5(11-12)7(8,9)10/h3H,2H2,1H3,(H,13,14)
InChI Key:
IWLWUGGGZQMPIX-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C(=O)O)C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.14g/mol
Monoisotopic Mass:
208.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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