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1227592-95-1 | 3-Pyridineacetic acid, 2-chloro-6-(trifluoromethyl)-
CAS No: 1227592-95-1 Catalog No: AG000JDC MDL No:MFCD16609354
Product Description
Catalog Number:
AG000JDC
Chemical Name:
3-Pyridineacetic acid, 2-chloro-6-(trifluoromethyl)-
CAS Number:
1227592-95-1
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD16609354
IUPAC Name:
2-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]acetic acid
InChI:
InChI=1S/C8H5ClF3NO2/c9-7-4(3-6(14)15)1-2-5(13-7)8(10,11)12/h1-2H,3H2,(H,14,15)
InChI Key:
UUQAJNPRYAFEAG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(nc1Cl)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.578g/mol
Monoisotopic Mass:
238.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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