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1458-20-4 | 2-Pyrazinecarboxylic acid, 3,5-diamino-6-bromo-, methyl ester
CAS No: 1458-20-4 Catalog No: AG001DFF MDL No:MFCD18914369
Product Description
Catalog Number:
AG001DFF
Chemical Name:
2-Pyrazinecarboxylic acid, 3,5-diamino-6-bromo-, methyl ester
CAS Number:
1458-20-4
Molecular Formula:
C6H7BrN4O2
Molecular Weight:
247.0494
MDL Number:
MFCD18914369
IUPAC Name:
methyl 3,5-diamino-6-bromopyrazine-2-carboxylate
InChI:
InChI=1S/C6H7BrN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChI Key:
IVDQNAQLYWSLTG-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)c(nc1N)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.052g/mol
Monoisotopic Mass:
245.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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