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Home > Bromides > 1214345-95-5
1214345-95-5 | 2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-, methyl ester
CAS No: 1214345-95-5 Catalog No: AG0014VJ MDL No:MFCD14698126
Product Description
Catalog Number:
AG0014VJ
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
1214345-95-5
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD14698126
IUPAC Name:
methyl 3-bromo-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C7H6BrNO3/c1-12-7(11)6-4(8)2-3-5(10)9-6/h2-3H,1H3,(H,9,10)
InChI Key:
GJWFRHKBTWEROR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)ccc(=O)[nH]1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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