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505084-59-3 | 2-Chloro-5-(trifluoromethyl)nicotinic acid
CAS No: 505084-59-3 Catalog No: AG003384 MDL No:MFCD08741353
Product Description
Catalog Number:
AG003384
Chemical Name:
2-Chloro-5-(trifluoromethyl)nicotinic acid
CAS Number:
505084-59-3
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD08741353
IUPAC Name:
2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
RMSKYTKOFDQVEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cnc1Cl)C(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:
2.2
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