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1260667-67-1 | 2-Pyrazinecarboxylic acid, 6-bromo-3,4-dihydro-3-oxo-
CAS No: 1260667-67-1 Catalog No: AG000R18 MDL No:MFCD18250199
Product Description
Catalog Number:
AG000R18
Chemical Name:
2-Pyrazinecarboxylic acid, 6-bromo-3,4-dihydro-3-oxo-
CAS Number:
1260667-67-1
Molecular Formula:
C5H3BrN2O3
Molecular Weight:
218.9929
MDL Number:
MFCD18250199
IUPAC Name:
5-bromo-2-oxo-1H-pyrazine-3-carboxylic acid
InChI:
InChI=1S/C5H3BrN2O3/c6-2-1-7-4(9)3(8-2)5(10)11/h1H,(H,7,9)(H,10,11)
InChI Key:
VMCUQNUHUVHRIL-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c(n1)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.994g/mol
Monoisotopic Mass:
217.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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