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Home > Aldehydes > 100036-64-4
100036-64-4 | [1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)-
CAS No: 100036-64-4 Catalog No: AG0000ML MDL No:MFCD03424645
Product Description
Catalog Number:
AG0000ML
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)-
CAS Number:
100036-64-4
Molecular Formula:
C14H9F3O
Molecular Weight:
250.2159
MDL Number:
MFCD03424645
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]benzaldehyde
InChI:
InChI=1S/C14H9F3O/c15-14(16,17)13-3-1-2-12(8-13)11-6-4-10(9-18)5-7-11/h1-9H
InChI Key:
WRWNNARTYPYHEC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.22g/mol
Monoisotopic Mass:
250.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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