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1381944-79-1 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 2'-fluoro-5-methoxy-
CAS No: 1381944-79-1 Catalog No: AG00187H MDL No:MFCD22375048
Product Description
Catalog Number:
AG00187H
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 2'-fluoro-5-methoxy-
CAS Number:
1381944-79-1
Molecular Formula:
C15H11FO5
Molecular Weight:
290.2432
MDL Number:
MFCD22375048
IUPAC Name:
4-(3-carboxy-5-methoxyphenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)15(19)20)12-3-2-8(14(17)18)7-13(12)16/h2-7H,1H3,(H,17,18)(H,19,20)
InChI Key:
OTLALIDSXJHJRX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1ccc(cc1F)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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