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259793-88-9 | 2-Pyrazinecarboxamide, 6-bromo-3,4-dihydro-3-oxo-
CAS No: 259793-88-9 Catalog No: AG002R9S MDL No:MFCD20528005
Product Description
Catalog Number:
AG002R9S
Chemical Name:
2-Pyrazinecarboxamide, 6-bromo-3,4-dihydro-3-oxo-
CAS Number:
259793-88-9
Molecular Formula:
C5H4BrN3O2
Molecular Weight:
218.0082
MDL Number:
MFCD20528005
IUPAC Name:
5-bromo-2-oxo-1H-pyrazine-3-carboxamide
InChI:
InChI=1S/C5H4BrN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
InChI Key:
KZBREXQQUFIWKD-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c(n1)C(=O)N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.01g/mol
Monoisotopic Mass:
216.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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