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1437794-33-6 | 1-Butyl-3-(trifluoroMethyl)pyrazole-5-carboxaldehyde
CAS No: 1437794-33-6 Catalog No: AG00AQI4 MDL No:MFCD24448786
Product Description
Catalog Number:
AG00AQI4
Chemical Name:
1-Butyl-3-(trifluoroMethyl)pyrazole-5-carboxaldehyde
CAS Number:
1437794-33-6
Molecular Formula:
C9H11F3N2O
Molecular Weight:
220.1916
MDL Number:
MFCD24448786
IUPAC Name:
2-butyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H11F3N2O/c1-2-3-4-14-7(6-15)5-8(13-14)9(10,11)12/h5-6H,2-4H2,1H3
InChI Key:
GFMCLFJSIVQJCR-UHFFFAOYSA-N
SMILES:
CCCCn1nc(cc1C=O)C(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.195g/mol
Monoisotopic Mass:
220.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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