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162102-81-0

162102-81-0 | 2,6-Pyridinedicarboxylic acid, 4-bromo-

CAS No: 162102-81-0 Catalog No: AG001SRU MDL No:MFCD09033573

Product Description

Catalog Number:
AG001SRU
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-bromo-
CAS Number:
162102-81-0
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD09033573
IUPAC Name:
4-bromopyridine-2,6-dicarboxylic acid
InChI:
InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChI Key:
JVCWTTKJXQPITQ-UHFFFAOYSA-N
SMILES:
Brc1cc(nc(c1)C(=O)O)C(=O)O

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.932g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.016g/mol
Monoisotopic Mass:
244.932g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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