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1261949-48-7

1261949-48-7 | [1,1'-Biphenyl]-3-carboxylic acid, 4',6-difluoro-3'-methyl-

CAS No: 1261949-48-7 Catalog No: AG000S7O MDL No:MFCD18319660

Product Description

Catalog Number:
AG000S7O
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4',6-difluoro-3'-methyl-
CAS Number:
1261949-48-7
Molecular Formula:
C14H10F2O2
Molecular Weight:
248.2248
MDL Number:
MFCD18319660
IUPAC Name:
4-fluoro-3-(4-fluoro-3-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H10F2O2/c1-8-6-9(2-4-12(8)15)11-7-10(14(17)18)3-5-13(11)16/h2-7H,1H3,(H,17,18)
InChI Key:
GTBMSYYTCWCQDO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)c1ccc(c(c1)C)F)F

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.065g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.229g/mol
Monoisotopic Mass:
248.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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