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Home > Fluorides > 139356-89-1
139356-89-1 | 2H-1-Benzopyran-2-one, 7-fluoro-4-methyl-
CAS No: 139356-89-1 Catalog No: AG001AUI MDL No:
Product Description
Catalog Number:
AG001AUI
Chemical Name:
2H-1-Benzopyran-2-one, 7-fluoro-4-methyl-
CAS Number:
139356-89-1
Molecular Formula:
C10H7FO2
Molecular Weight:
178.1598
IUPAC Name:
7-fluoro-4-methylchromen-2-one
InChI:
InChI=1S/C10H7FO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3
InChI Key:
GEDBPJPKDYKFEM-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.162g/mol
Monoisotopic Mass:
178.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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