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116543-91-0 | 4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-, methyl ester
CAS No: 116543-91-0 Catalog No: AG000CQU MDL No:
Product Description
Catalog Number:
AG000CQU
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-, methyl ester
CAS Number:
116543-91-0
Molecular Formula:
C11H7FO4
Molecular Weight:
222.1693
IUPAC Name:
methyl 6-fluoro-4-oxochromene-2-carboxylate
InChI:
InChI=1S/C11H7FO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3
InChI Key:
IWYHARNYXQFPOB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c(o1)ccc(c2)F
EC Number:
601-439-6
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.171g/mol
Monoisotopic Mass:
222.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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