Home Halogens 2,3-dichloro-4-(trifluoromethyl)benzoic acid

2,3-dichloro-4-(trifluoromethyl)benzoic acid

CAS No.:
871254-69-2
Catalog Number:
AG01C94Q
Molecular Formula:
C8H3Cl2F3O2
Molecular Weight:
259.0094
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Product Description
Catalog Number:
AG01C94Q
Chemical Name:
2,3-dichloro-4-(trifluoromethyl)benzoic acid
CAS Number:
871254-69-2
Molecular Formula:
C8H3Cl2F3O2
Molecular Weight:
259.0094
MDL Number:
MFCD28505055
IUPAC Name:
2,3-dichloro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3Cl2F3O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)
InChI Key:
SXZBNNYNKIHGMD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(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  
Properties