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855915-21-8 | 6-Chloro-5-(trifluoromethyl)picolinic acid
CAS No: 855915-21-8 Catalog No: AG004U5M MDL No:MFCD18257438
Product Description
Catalog Number:
AG004U5M
Chemical Name:
6-Chloro-5-(trifluoromethyl)picolinic acid
CAS Number:
855915-21-8
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD18257438
IUPAC Name:
6-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-3(7(9,10)11)1-2-4(12-5)6(13)14/h1-2H,(H,13,14)
InChI Key:
PPQPJHRYVXXZTI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(n1)Cl)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:
2.6
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