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1261924-36-0

1261924-36-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-methoxy-

CAS No: 1261924-36-0 Catalog No: AG000S5N MDL No:MFCD16509415

Product Description

Catalog Number:
AG000S5N
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-3'-methoxy-
CAS Number:
1261924-36-0
Molecular Formula:
C14H11FO3
Molecular Weight:
246.2337
MDL Number:
MFCD16509415
IUPAC Name:
3-fluoro-4-(3-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO3/c1-18-11-4-2-3-9(7-11)12-6-5-10(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17)
InChI Key:
ZUHWTXVQCXMXKG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccc(cc1F)C(=O)O

Properties

Complexity:
295  
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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