200,000+ products from a single source!
sales@angenechem.com
125064-63-3 | 1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-
CAS No: 125064-63-3 Catalog No: AG000N39 MDL No:
Product Description
Catalog Number:
AG000N39
Chemical Name:
1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-
CAS Number:
125064-63-3
Molecular Formula:
C16H9FO4
Molecular Weight:
284.2387
IUPAC Name:
4-(4-fluorophenyl)-1-oxoisochromene-3-carboxylic acid
InChI:
InChI=1S/C16H9FO4/c17-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)16(20)21-14(13)15(18)19/h1-8H,(H,18,19)
InChI Key:
XKAPHFJOHWYKFR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1c(oc(=O)c2c1cccc2)C(=O)O
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.242g/mol
Monoisotopic Mass:
284.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.