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5002-42-6 | 1-(3'-Fluoro-biphenyl-4-yl)-ethanone
CAS No: 5002-42-6 Catalog No: AG01EW71 MDL No:
Product Description
Catalog Number:
AG01EW71
Chemical Name:
1-(3'-Fluoro-biphenyl-4-yl)-ethanone
CAS Number:
5002-42-6
Molecular Formula:
C14H11FO
Molecular Weight:
214.2349
IUPAC Name:
1-[4-(3-fluorophenyl)phenyl]ethanone
InChI:
InChI=1S/C14H11FO/c1-10(16)11-5-7-12(8-6-11)13-3-2-4-14(15)9-13/h2-9H,1H3
InChI Key:
CBMCNPAMKBMCBO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(cc1)C(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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