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150331-79-6 | 2-Pyrazinecarboxylic acid, 3-bromo-6-chloro-5-(4-methyl-1-piperazinyl)-, methyl ester
CAS No: 150331-79-6 Catalog No: AG001MJM MDL No:
Product Description
Catalog Number:
AG001MJM
Chemical Name:
2-Pyrazinecarboxylic acid, 3-bromo-6-chloro-5-(4-methyl-1-piperazinyl)-, methyl ester
CAS Number:
150331-79-6
Molecular Formula:
C11H14BrClN4O2
Molecular Weight:
349.6115
IUPAC Name:
methyl 3-bromo-6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylate
InChI:
InChI=1S/C11H14BrClN4O2/c1-16-3-5-17(6-4-16)10-9(13)14-7(8(12)15-10)11(18)19-2/h3-6H2,1-2H3
InChI Key:
ZCFCRURDTARQSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)c(nc1Br)N1CCN(CC1)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.999g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.613g/mol
Monoisotopic Mass:
347.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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