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823222-02-2 | 5-Chloro-2-(trifluoromethyl)nicotinic acid
CAS No: 823222-02-2 Catalog No: AG005EGE MDL No:MFCD10698577
Product Description
Catalog Number:
AG005EGE
Chemical Name:
5-Chloro-2-(trifluoromethyl)nicotinic acid
CAS Number:
823222-02-2
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD10698577
IUPAC Name:
5-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-3-1-4(6(13)14)5(12-2-3)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
SWAUZBSMIIDEMA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)cnc1C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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