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433926-46-6 | 3-Chloro-5-(trifluoromethoxy)benzoic acid
CAS No: 433926-46-6 Catalog No: AG003J8V MDL No:MFCD06660306
Product Description
Catalog Number:
AG003J8V
Chemical Name:
3-Chloro-5-(trifluoromethoxy)benzoic acid
CAS Number:
433926-46-6
Molecular Formula:
C8H4ClF3O3
Molecular Weight:
240.5638
MDL Number:
MFCD06660306
IUPAC Name:
3-chloro-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4ClF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
KVXQRRFQLRUCKN-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(=O)O)OC(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.562g/mol
Monoisotopic Mass:
239.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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