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1135283-33-8 | 4-Pyridinecarboxylic acid, 2,3-dichloro-5-(trifluoromethyl)-
CAS No: 1135283-33-8 Catalog No: AG0008X0 MDL No:MFCD12025872
Product Description
Catalog Number:
AG0008X0
Chemical Name:
4-Pyridinecarboxylic acid, 2,3-dichloro-5-(trifluoromethyl)-
CAS Number:
1135283-33-8
Molecular Formula:
C7H2Cl2F3NO2
Molecular Weight:
259.9975
MDL Number:
MFCD12025872
IUPAC Name:
2,3-dichloro-5-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H2Cl2F3NO2/c8-4-3(6(14)15)2(7(10,11)12)1-13-5(4)9/h1H,(H,14,15)
InChI Key:
WCIZQAPCTNIIGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)c(Cl)ncc1C(F)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.993g/mol
Monoisotopic Mass:
258.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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