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86988-50-3 | Benzaldehyde,4-(2,2,2-trifluoroacetyl)-
CAS No: 86988-50-3 Catalog No: AG004KSV MDL No:
Product Description
Catalog Number:
AG004KSV
Chemical Name:
Benzaldehyde,4-(2,2,2-trifluoroacetyl)-
CAS Number:
86988-50-3
Molecular Formula:
C9H5F3O2
Molecular Weight:
202.1300
IUPAC Name:
4-(2,2,2-trifluoroacetyl)benzaldehyde
InChI:
InChI=1S/C9H5F3O2/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-5H
InChI Key:
QZIUSAUIKVMLEX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.132g/mol
Monoisotopic Mass:
202.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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