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Home > Bromides > 1364663-27-3
1364663-27-3 | 3-Pyridinecarboxylic acid, 4,6-dibromo-, methyl ester
CAS No: 1364663-27-3 Catalog No: AG0011VF MDL No:
Product Description
Catalog Number:
AG0011VF
Chemical Name:
3-Pyridinecarboxylic acid, 4,6-dibromo-, methyl ester
CAS Number:
1364663-27-3
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
IUPAC Name:
methyl 4,6-dibromopyridine-3-carboxylate
InChI:
InChI=1S/C7H5Br2NO2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3
InChI Key:
PBLRATRCAWQHFC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1Br)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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