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25922-42-3 | Benzoic acid, 2,3-dichloro-5-(trifluoromethyl)-
CAS No: 25922-42-3 Catalog No: AG002R2W MDL No:
Product Description
Catalog Number:
AG002R2W
Chemical Name:
Benzoic acid, 2,3-dichloro-5-(trifluoromethyl)-
CAS Number:
25922-42-3
Molecular Formula:
C8H3Cl2F3O2
Molecular Weight:
259.0094
IUPAC Name:
2,3-dichloro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3Cl2F3O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
InChI Key:
BPKBRTRFMGIQGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1Cl)Cl)C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.005g/mol
Monoisotopic Mass:
257.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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