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Home > Fluorides > 1223397-11-2
1223397-11-2 | Benzoic acid, 3-hydroxy-, 1,1'-(3-fluoro-1,2-phenylene) ester
CAS No: 1223397-11-2 Catalog No: AG00174I MDL No:MFCD24387113
Product Description
Catalog Number:
AG00174I
Chemical Name:
Benzoic acid, 3-hydroxy-, 1,1'-(3-fluoro-1,2-phenylene) ester
CAS Number:
1223397-11-2
Molecular Formula:
C20H13FO6
Molecular Weight:
368.3120
MDL Number:
MFCD24387113
IUPAC Name:
[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
InChI:
InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
InChI Key:
FRSWCCBXIHFKKY-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(=O)Oc1c(cccc1F)OC(=O)c1cccc(c1)O
NSC Number:
750937
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.07g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.316g/mol
Monoisotopic Mass:
368.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| A small-molecule inhibitor of glucose transporter 1 downregulates glycolysis, induces cell-cycle arrest, and inhibits cancer cell growth in vitro and in vivo. | Molecular cancer therapeutics 20120801 |
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