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Home > Aldehydes > 1333319-67-7
1333319-67-7 | [1,1'-Biphenyl]-4-carboxaldehyde, 2',4'-bis(trifluoromethyl)-
CAS No: 1333319-67-7 Catalog No: AG0014O8 MDL No:
Product Description
Catalog Number:
AG0014O8
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 2',4'-bis(trifluoromethyl)-
CAS Number:
1333319-67-7
Molecular Formula:
C15H8F6O
Molecular Weight:
318.2138
IUPAC Name:
4-[2,4-bis(trifluoromethyl)phenyl]benzaldehyde
InChI:
InChI=1S/C15H8F6O/c16-14(17,18)11-5-6-12(13(7-11)15(19,20)21)10-3-1-9(8-22)2-4-10/h1-8H
InChI Key:
IDNUWUNODFXHRH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.218g/mol
Monoisotopic Mass:
318.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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