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1261895-15-1 | [1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-2',4'-dimethoxy-
CAS No: 1261895-15-1 Catalog No: AG000S40 MDL No:MFCD18321325
Product Description
Catalog Number:
AG000S40
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-2',4'-dimethoxy-
CAS Number:
1261895-15-1
Molecular Formula:
C15H13FO4
Molecular Weight:
276.2597
MDL Number:
MFCD18321325
IUPAC Name:
3-(2,4-dimethoxyphenyl)-5-fluorobenzoic acid
InChI:
InChI=1S/C15H13FO4/c1-19-12-3-4-13(14(8-12)20-2)9-5-10(15(17)18)7-11(16)6-9/h3-8H,1-2H3,(H,17,18)
InChI Key:
IEUPEXRMIRIGQH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1cc(F)cc(c1)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.263g/mol
Monoisotopic Mass:
276.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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