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1261840-24-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-(trifluoromethoxy)-
CAS No: 1261840-24-7 Catalog No: AG000S1P MDL No:MFCD18402767
Product Description
Catalog Number:
AG000S1P
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-(trifluoromethoxy)-
CAS Number:
1261840-24-7
Molecular Formula:
C14H8ClF3O3
Molecular Weight:
316.6597
MDL Number:
MFCD18402767
IUPAC Name:
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8ClF3O3/c15-11-7-8(5-6-10(11)13(19)20)9-3-1-2-4-12(9)21-14(16,17)18/h1-7H,(H,19,20)
InChI Key:
BFKFRIGCWWRDCK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccccc1OC(F)(F)F
Properties
Complexity:
375
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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