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1172278-17-9 | 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzaldehyde
CAS No: 1172278-17-9 Catalog No: AG019NEA MDL No:MFCD11505560
Product Description
Catalog Number:
AG019NEA
Chemical Name:
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzaldehyde
CAS Number:
1172278-17-9
Molecular Formula:
C11H7F3N2O
Molecular Weight:
240.1813
MDL Number:
MFCD11505560
IUPAC Name:
4-[3-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
InChI:
InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-6-16(15-10)9-3-1-8(7-17)2-4-9/h1-7H
InChI Key:
RIMOQNXDOVWXGJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1ccc(n1)C(F)(F)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.185g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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