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1365273-05-7 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-3'-(trifluoromethyl)-, methyl ester
CAS No: 1365273-05-7 Catalog No: AG00121F MDL No:MFCD21609728
Product Description
Catalog Number:
AG00121F
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-fluoro-3'-(trifluoromethyl)-, methyl ester
CAS Number:
1365273-05-7
Molecular Formula:
C15H10F4O2
Molecular Weight:
298.2323
MDL Number:
MFCD21609728
IUPAC Name:
methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
InChI:
InChI=1S/C15H10F4O2/c1-21-14(20)10-7-5-9(6-8-10)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3
InChI Key:
OMPDCRWASJBFQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.237g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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