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1261903-69-8 | [1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-methoxy-
CAS No: 1261903-69-8 Catalog No: AG000S49 MDL No:MFCD18319521
Product Description
Catalog Number:
AG000S49
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-fluoro-4'-methoxy-
CAS Number:
1261903-69-8
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD18319521
IUPAC Name:
3-fluoro-5-(4-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO3/c1-18-13-4-2-9(3-5-13)10-6-11(14(16)17)8-12(15)7-10/h2-8H,1H3,(H,16,17)
InChI Key:
IDVPQPRHGUBPRN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(F)cc(c1)C(=O)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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