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14605-18-6 | 3-Pyridinecarboxylic acid, 1-[(2-bromophenyl)methyl]-1,6-dihydro-6-oxo-, sodium salt (1:1)
CAS No: 14605-18-6 Catalog No: AG001DNJ MDL No:
Product Description
Catalog Number:
AG001DNJ
Chemical Name:
3-Pyridinecarboxylic acid, 1-[(2-bromophenyl)methyl]-1,6-dihydro-6-oxo-, sodium salt (1:1)
CAS Number:
14605-18-6
Molecular Formula:
C13H9BrNNaO3
Molecular Weight:
330.1092
IUPAC Name:
sodium;1-[(2-bromophenyl)methyl]-2-oxopyridine-3-carboxylate
InChI:
InChI=1S/C13H10BrNO3.Na/c14-11-6-2-1-4-9(11)8-15-7-3-5-10(12(15)16)13(17)18;/h1-7H,8H2,(H,17,18);/q;+1/p-1
InChI Key:
QDZMKHPSNBFXLZ-UHFFFAOYSA-M
SMILES:
Brc1ccccc1Cn1cc(ccc1=O)C(=O)[O-].[Na+]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.966g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.113g/mol
Monoisotopic Mass:
328.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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