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1261921-87-2 | [1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-hydroxy-, methyl ester
CAS No: 1261921-87-2 Catalog No: AG000S5T MDL No:MFCD18312975
Product Description
Catalog Number:
AG000S5T
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-hydroxy-, methyl ester
CAS Number:
1261921-87-2
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD18312975
IUPAC Name:
methyl 3-fluoro-5-(4-hydroxyphenyl)benzoate
InChI:
InChI=1S/C14H11FO3/c1-18-14(17)11-6-10(7-12(15)8-11)9-2-4-13(16)5-3-9/h2-8,16H,1H3
InChI Key:
NVWPOVNKUOPDLA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1)c1ccc(cc1)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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