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1261930-84-0 | [1,1'-Biphenyl]-3-carboxylic acid, 3',4'-dichloro-5-(trifluoromethyl)-
CAS No: 1261930-84-0 Catalog No: AG000S6E MDL No:MFCD18321903
Product Description
Catalog Number:
AG000S6E
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3',4'-dichloro-5-(trifluoromethyl)-
CAS Number:
1261930-84-0
Molecular Formula:
C14H7Cl2F3O2
Molecular Weight:
335.1054
MDL Number:
MFCD18321903
IUPAC Name:
3-(3,4-dichlorophenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H7Cl2F3O2/c15-11-2-1-7(6-12(11)16)8-3-9(13(20)21)5-10(4-8)14(17,18)19/h1-6H,(H,20,21)
InChI Key:
BSOHEQFDBYSARF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.978g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.103g/mol
Monoisotopic Mass:
333.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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