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Home > Bromides > 1214377-79-3
1214377-79-3 | 2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-, ethyl ester
CAS No: 1214377-79-3 Catalog No: AG0014XY MDL No:MFCD14698335
Product Description
Catalog Number:
AG0014XY
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-, ethyl ester
CAS Number:
1214377-79-3
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD14698335
IUPAC Name:
ethyl 3-bromo-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-2-13-8(12)7-5(9)3-4-6(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
RPYJORIDPWCWOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)ccc(=O)[nH]1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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