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1365272-01-0 | [1,1'-Biphenyl]-4-carboxylic acid, 3,3'-difluoro-5'-methoxy-, methyl ester
CAS No: 1365272-01-0 Catalog No: AG0011ZQ MDL No:MFCD21609599
Product Description
Catalog Number:
AG0011ZQ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3,3'-difluoro-5'-methoxy-, methyl ester
CAS Number:
1365272-01-0
Molecular Formula:
C15H12F2O3
Molecular Weight:
278.2508
MDL Number:
MFCD21609599
IUPAC Name:
methyl 2-fluoro-4-(3-fluoro-5-methoxyphenyl)benzoate
InChI:
InChI=1S/C15H12F2O3/c1-19-12-6-10(5-11(16)8-12)9-3-4-13(14(17)7-9)15(18)20-2/h3-8H,1-2H3
InChI Key:
RJWCLQYHKMSLIJ-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.255g/mol
Monoisotopic Mass:
278.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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