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1261896-38-1 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-5'-methoxy-
CAS No: 1261896-38-1 Catalog No: AG000S3N MDL No:MFCD18312626
Product Description
Catalog Number:
AG000S3N
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-5'-methoxy-
CAS Number:
1261896-38-1
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD18312626
IUPAC Name:
4-(2-fluoro-5-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO3/c1-18-11-6-7-13(15)12(8-11)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
YNZGMSBGLAIBNE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1ccc(cc1)C(=O)O)F
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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