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1261970-06-2 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-fluoro-5-methoxy-
CAS No: 1261970-06-2 Catalog No: AG000SAD MDL No:MFCD18321507
Product Description
Catalog Number:
AG000SAD
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3'-fluoro-5-methoxy-
CAS Number:
1261970-06-2
Molecular Formula:
C15H11FO5
Molecular Weight:
290.2432
MDL Number:
MFCD18321507
IUPAC Name:
4-(3-carboxy-5-methoxyphenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-12(15(19)20)13(16)7-8/h2-7H,1H3,(H,17,18)(H,19,20)
InChI Key:
XSOSNMBMBVAPKW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.246g/mol
Monoisotopic Mass:
290.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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