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1261605-70-2 | Benzoic acid, 4-chloro-2-(trifluoromethoxy)-
CAS No: 1261605-70-2 Catalog No: AG000RVF MDL No:MFCD18393801
Product Description
Catalog Number:
AG000RVF
Chemical Name:
Benzoic acid, 4-chloro-2-(trifluoromethoxy)-
CAS Number:
1261605-70-2
Molecular Formula:
C8H4ClF3O3
Molecular Weight:
240.5638
MDL Number:
MFCD18393801
IUPAC Name:
4-chloro-2-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4ClF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
SSORZLDIKSZDTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1OC(F)(F)F)Cl
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:
3.1
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