Home Carboxys Methyl 5-nitro-7-azaindole-3-carboxylate

Methyl 5-nitro-7-azaindole-3-carboxylate

CAS No.:
1434141-72-6
Catalog Number:
AG00HWWD
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
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Product Description
Catalog Number:
AG00HWWD
Chemical Name:
Methyl 5-nitro-7-azaindole-3-carboxylate
CAS Number:
1434141-72-6
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD26959099
IUPAC Name:
methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
InChI:
InChI=1S/C9H7N3O4/c1-16-9(13)7-4-11-8-6(7)2-5(3-10-8)12(14)15/h2-4H,1H3,(H,10,11)
InChI Key:
GMLPCJJUCWEWJO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(c[nH]c2nc1)C(=O)OC
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties