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Home > Aldehydes > 343604-41-1
343604-41-1 | [1,1'-Biphenyl]-3-carboxaldehyde,3',4'-difluoro-
CAS No: 343604-41-1 Catalog No: AG007FY8 MDL No:
Product Description
Catalog Number:
AG007FY8
Chemical Name:
[1,1'-Biphenyl]-3-carboxaldehyde,3',4'-difluoro-
CAS Number:
343604-41-1
Molecular Formula:
C13H8F2O
Molecular Weight:
218.1988
IUPAC Name:
3-(3,4-difluorophenyl)benzaldehyde
InChI:
InChI=1S/C13H8F2O/c14-12-5-4-11(7-13(12)15)10-3-1-2-9(6-10)8-16/h1-8H
InChI Key:
CMMCIJBGFQYEMA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(c(c1)F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.203g/mol
Monoisotopic Mass:
218.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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