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1261455-21-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(trifluoromethoxy)-
CAS No: 1261455-21-3 Catalog No: AG000RR4 MDL No:MFCD18322448
Product Description
Catalog Number:
AG000RR4
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(trifluoromethoxy)-
CAS Number:
1261455-21-3
Molecular Formula:
C14H8ClF3O3
Molecular Weight:
316.6597
MDL Number:
MFCD18322448
IUPAC Name:
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8ClF3O3/c15-12-7-9(3-6-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H,19,20)
InChI Key:
OQGNDTFRJHRAHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.66g/mol
Monoisotopic Mass:
316.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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