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Home > Fluorides > 113734-96-6
113734-96-6 | 4H-1-Benzopyran-4-one, 6-fluoro-2-(2-thienyl)-
CAS No: 113734-96-6 Catalog No: AG0009I1 MDL No:
Product Description
Catalog Number:
AG0009I1
Chemical Name:
4H-1-Benzopyran-4-one, 6-fluoro-2-(2-thienyl)-
CAS Number:
113734-96-6
Molecular Formula:
C13H7FO2S
Molecular Weight:
246.2569
IUPAC Name:
6-fluoro-2-thiophen-2-ylchromen-4-one
InChI:
InChI=1S/C13H7FO2S/c14-8-3-4-11-9(6-8)10(15)7-12(16-11)13-2-1-5-17-13/h1-7H
InChI Key:
PKJOUNWBXMNVNB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)cc(o2)c1cccs1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.255g/mol
Monoisotopic Mass:
246.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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