Home Carboxys 2-a]pyrazine-8-carboxylate

2-a]pyrazine-8-carboxylate

CAS No.:
1379297-22-9
Catalog Number:
AG009E5C
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
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Product Description
Catalog Number:
AG009E5C
Chemical Name:
2-a]pyrazine-8-carboxylate
CAS Number:
1379297-22-9
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD18793412
IUPAC Name:
methyl 6-bromoimidazo[1,2-a]pyrazine-8-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-7-10-2-3-12(7)4-5(9)11-6/h2-4H,1H3
InChI Key:
MDEIINGCHGEFBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)cn2c1ncc2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties