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144740-56-7 | 3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
CAS No: 144740-56-7 Catalog No: AG001K23 MDL No:MFCD12025861
Product Description
Catalog Number:
AG001K23
Chemical Name:
3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
CAS Number:
144740-56-7
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
MDL Number:
MFCD12025861
IUPAC Name:
methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChI Key:
PEEBGPINNABOSD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1Br)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:
282.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.032g/mol
Monoisotopic Mass:
282.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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