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1185292-86-7 | 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1185292-86-7 Catalog No: AG00812P MDL No:MFCD11707233
Product Description
Catalog Number:
AG00812P
Chemical Name:
1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1185292-86-7
Molecular Formula:
C11H7F3N2O
Molecular Weight:
240.1813
MDL Number:
MFCD11707233
IUPAC Name:
1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H7F3N2O/c12-11(13,14)10-8(7-17)6-16(15-10)9-4-2-1-3-5-9/h1-7H
InChI Key:
DGUGDTFAUNHHAS-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(F)(F)F)c1ccccc1
Properties
Complexity:
276
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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