Home Halogens 5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-

5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-

CAS No.:
1422772-78-8
Catalog Number:
AG001I3H
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
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Product Description
Catalog Number:
AG001I3H
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-
CAS Number:
1422772-78-8
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD26793713
IUPAC Name:
2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-4-2-10-6-5(11-4)3(1-9-6)7(12)13/h1-2H,(H,9,10)(H,12,13)
InChI Key:
GMNHPDGWLWPFSV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1nc(Br)cn2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties