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2060048-94-2 | 1-ethyl-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS No: 2060048-94-2 Catalog No: AG01BWHD MDL No:MFCD30477125
Product Description
Catalog Number:
AG01BWHD
Chemical Name:
1-ethyl-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
2060048-94-2
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
MDL Number:
MFCD30477125
IUPAC Name:
2-ethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H7F3N2O/c1-2-12-6(4-13)5(3-11-12)7(8,9)10/h3-4H,2H2,1H3
InChI Key:
TUWFOJJAWZVTSH-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C=O)C(F)(F)F
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.141g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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