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Home > Aldehydes > 791839-62-8
791839-62-8 | [1,1'-Biphenyl]-4-carboxaldehyde,5'-chloro-2'-methoxy-
CAS No: 791839-62-8 Catalog No: AG005A0L MDL No:
Product Description
Catalog Number:
AG005A0L
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde,5'-chloro-2'-methoxy-
CAS Number:
791839-62-8
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
IUPAC Name:
4-[2-methoxy-4-(trifluoromethyl)phenyl]benzaldehyde
InChI:
InChI=1S/C15H11F3O2/c1-20-14-8-12(15(16,17)18)6-7-13(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
InChI Key:
SDKOVBWRQTVONQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(cc1OC)C(F)(F)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.246g/mol
Monoisotopic Mass:
280.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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