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1221171-77-2 | 4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethoxy)-
CAS No: 1221171-77-2 Catalog No: AG0016S0 MDL No:
Product Description
Catalog Number:
AG0016S0
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethoxy)-
CAS Number:
1221171-77-2
Molecular Formula:
C7H3ClF3NO3
Molecular Weight:
241.5518
IUPAC Name:
2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO3/c8-5-1-3(6(13)14)4(2-12-5)15-7(9,10)11/h1-2H,(H,13,14)
InChI Key:
MXTVKRCSGPEYAX-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(c1)C(=O)O)OC(F)(F)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.55g/mol
Monoisotopic Mass:
240.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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