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Home > Bromides > 1172943-37-1
1172943-37-1 | 5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-6-methyl-, methyl ester
CAS No: 1172943-37-1 Catalog No: AG000E1Z MDL No:MFCD12026331
Product Description
Catalog Number:
AG000E1Z
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-6-methyl-, methyl ester
CAS Number:
1172943-37-1
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD12026331
IUPAC Name:
methyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-4-6(9(14)15-2)7-8(12-4)11-3-5(10)13-7/h3H,1-2H3,(H,11,12)
InChI Key:
OTFJHGJSOFLWQL-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OC)c2c([nH]1)ncc(n2)Br
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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