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1221722-10-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
CAS No: 1221722-10-6 Catalog No: AG0016V6 MDL No:MFCD18322428
Product Description
Catalog Number:
AG0016V6
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
CAS Number:
1221722-10-6
Molecular Formula:
C15H11F3O3
Molecular Weight:
296.2412
MDL Number:
MFCD18322428
IUPAC Name:
2-methyl-3-[4-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C15H11F3O3/c1-9-12(3-2-4-13(9)14(19)20)10-5-7-11(8-6-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
LNRROOUNLXDADK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F
UNII:
7K9I13FZ55
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.245g/mol
Monoisotopic Mass:
296.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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