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Home > Aldehydes > 960198-48-5
960198-48-5 | 2-(3,5-DIFLUOROPHENYL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 960198-48-5 Catalog No: AG0068ZA MDL No:
Product Description
Catalog Number:
AG0068ZA
Chemical Name:
2-(3,5-DIFLUOROPHENYL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
960198-48-5
Molecular Formula:
C11H6F2N2O
Molecular Weight:
220.1749
IUPAC Name:
2-(3,5-difluorophenyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H6F2N2O/c12-9-1-8(2-10(13)3-9)11-14-4-7(6-16)5-15-11/h1-6H
InChI Key:
ZLQZIIZARGBMQI-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)c1cc(F)cc(c1)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.179g/mol
Monoisotopic Mass:
220.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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