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Home > Aldehydes > 885963-72-4
885963-72-4 | [1,1'-Biphenyl]-3-carboxaldehyde,3',5'-bis(trifluoromethyl)-
CAS No: 885963-72-4 Catalog No: AG004CVT MDL No:
Product Description
Catalog Number:
AG004CVT
Chemical Name:
[1,1'-Biphenyl]-3-carboxaldehyde,3',5'-bis(trifluoromethyl)-
CAS Number:
885963-72-4
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
3-(2,3-dimethoxyphenyl)benzaldehyde
InChI:
InChI=1S/C15H14O3/c1-17-14-8-4-7-13(15(14)18-2)12-6-3-5-11(9-12)10-16/h3-10H,1-2H3
InChI Key:
HYJWNSAWSHRGJI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cccc(c1OC)OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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