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Home > Bromides > 2138032-69-4
2138032-69-4 | sodium 5-bromo-3-carboxypyridine-2-carboxylate
CAS No: 2138032-69-4 Catalog No: AG01EL62 MDL No:MFCD31438851
Product Description
Catalog Number:
AG01EL62
Chemical Name:
sodium 5-bromo-3-carboxypyridine-2-carboxylate
CAS Number:
2138032-69-4
Molecular Formula:
C7H3BrNNaO4
Molecular Weight:
267.9968
MDL Number:
MFCD31438851
IUPAC Name:
sodium;5-bromo-3-carboxypyridine-2-carboxylate
InChI:
InChI=1S/C7H4BrNO4.Na/c8-3-1-4(6(10)11)5(7(12)13)9-2-3;/h1-2H,(H,10,11)(H,12,13);/q;+1/p-1
InChI Key:
NIZNEBWEIKMHJV-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ncc(cc1C(=O)O)Br.[Na+]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.914g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.998g/mol
Monoisotopic Mass:
266.914g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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