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Home > Fluorides > 879416-96-3
879416-96-3 | 2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-6-methyl-
CAS No: 879416-96-3 Catalog No: AG004GRZ MDL No:
Product Description
Catalog Number:
AG004GRZ
Chemical Name:
2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-6-methyl-
CAS Number:
879416-96-3
Molecular Formula:
C16H11FO2
Molecular Weight:
254.2557
IUPAC Name:
4-(4-fluorophenyl)-6-methylchromen-2-one
InChI:
InChI=1S/C16H11FO2/c1-10-2-7-15-14(8-10)13(9-16(18)19-15)11-3-5-12(17)6-4-11/h2-9H,1H3
InChI Key:
YAONVVLBLBMRSJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(=O)oc2c1cc(C)cc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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