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162102-79-6 | 2,6-Pyridinedicarboxylic acid, 4-bromo-, 2,6-dimethyl ester
CAS No: 162102-79-6 Catalog No: AG001SQM MDL No:MFCD09910266
Product Description
Catalog Number:
AG001SQM
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-bromo-, 2,6-dimethyl ester
CAS Number:
162102-79-6
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD09910266
IUPAC Name:
dimethyl 4-bromopyridine-2,6-dicarboxylate
InChI:
InChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
InChI Key:
WYROXHCDUWIUMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(n1)C(=O)OC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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