200,000+ products from a single source!
sales@angenechem.com
1583-65-9 | 1,3-Benzenedicarboxylic acid, 2-fluoro-
CAS No: 1583-65-9 Catalog No: AG001Q3R MDL No:MFCD00042505
Product Description
Catalog Number:
AG001Q3R
Chemical Name:
1,3-Benzenedicarboxylic acid, 2-fluoro-
CAS Number:
1583-65-9
Molecular Formula:
C8H5FO4
Molecular Weight:
184.1213
MDL Number:
MFCD00042505
IUPAC Name:
2-fluorobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5FO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
DWOLBEJAJWCIGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1F)C(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.122g/mol
Monoisotopic Mass:
184.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain. | PloS one 20100101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.