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Home > Aldehydes > 1001020-14-9
1001020-14-9 | 1H-Pyrazole-4-carboxaldehyde, 3-(trifluoromethyl)-
CAS No: 1001020-14-9 Catalog No: AG0000YO MDL No:MFCD07375188
Product Description
Catalog Number:
AG0000YO
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(trifluoromethyl)-
CAS Number:
1001020-14-9
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD07375188
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1-2H,(H,9,10)
InChI Key:
SDTPLGPGUPPHCY-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1C(F)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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