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1422772-79-9 | 5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-, methyl ester
CAS No: 1422772-79-9 Catalog No: AG001I3G MDL No:MFCD26793714
Product Description
Catalog Number:
AG001I3G
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-, methyl ester
CAS Number:
1422772-79-9
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD26793714
IUPAC Name:
methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)4-2-10-7-6(4)12-5(9)3-11-7/h2-3H,1H3,(H,10,11)
InChI Key:
AIAXARHLQDMTCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1nc(Br)cn2
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:
1
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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