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1426830-32-1 | 1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CAS No: 1426830-32-1 Catalog No: AG01ACZL MDL No:MFCD25091410
Product Description
Catalog Number:
AG01ACZL
Chemical Name:
1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CAS Number:
1426830-32-1
Molecular Formula:
C11H7F3N2O
Molecular Weight:
240.1813
MDL Number:
MFCD25091410
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H7F3N2O/c12-11(13,14)9-1-3-10(4-2-9)16-6-8(7-17)5-15-16/h1-7H
InChI Key:
VNUOVMAXQXJRSC-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1ccc(cc1)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:
2.2
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