| CAS Number | 1434141-72-6 |
| Catalog Number | AG00HWWD(AGN-PC-0WCJB1) |
| Chemical Name | Methyl 5-nitro-7-azaindole-3-carboxylate |
| 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 |
| MDL Number | MFCD26959099 |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.1696 |
| SMILES | COC(=O)c1c[nH]c2ncc([N+](=O)[O-])cc12 |
| Synonyms | 1434141-72-6,
Methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate,
Methyl 5-nitro-7-azaindole-3-carboxylate,
MFCD26959099,
ZINC96372364,
SB11136,
KS-0000049X,
AK170890,
AS-33916,
CS-0048964,
Methyl 5-nitro-7-azaindole-3-carboxylate, AldrichCPR,
na,
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| 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 |
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Certificate of Analysis
Lot Number