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Home > Aldehydes > 400052-94-0
400052-94-0 | [1,1'-Biphenyl]-4-carboxaldehyde, 3,5-difluoro-4'-propyl-
CAS No: 400052-94-0 Catalog No: AG00761Z MDL No:
Product Description
Catalog Number:
AG00761Z
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 3,5-difluoro-4'-propyl-
CAS Number:
400052-94-0
Molecular Formula:
C16H14F2O
Molecular Weight:
260.2786
IUPAC Name:
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
InChI:
InChI=1S/C16H14F2O/c1-2-3-11-4-6-12(7-5-11)13-8-15(17)14(10-19)16(18)9-13/h4-10H,2-3H2,1H3
InChI Key:
UFRDNAQOMSKPMZ-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1cc(F)c(c(c1)F)C=O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.284g/mol
Monoisotopic Mass:
260.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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