| CAS Number | 59128-18-6 |
| Catalog Number | AG00F238(AGN-PC-0NIAWH) |
| Chemical Name | 2-(6-Nitroimidazo[1,2-a]pyridin-2-yl)acetic acid |
| IUPAC Name | 2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetic acid |
| InChI | InChI=1S/C9H7N3O4/c13-9(14)3-6-4-11-5-7(12(15)16)1-2-8(11)10-6/h1-2,4-5H,3H2,(H,13,14) |
| InChI Key | VWKQCRUKPBJKEK-UHFFFAOYSA-N |
| MDL Number | MFCD10009678 |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.1696 |
| SMILES | OC(=O)Cc1cn2c(n1)ccc(c2)[N+](=O)[O-] |
| Synonyms | 2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetic acid,
59128-18-6,
MFCD10009678,
ZINC19953078,
AKOS009436817,
AJ-75811,
AK161492,
OR302302,
AX8294416,
FT-0701486,
ST24039519,
imidazo[1,2-a]pyridine-2-acetic acid,6-nitro-,
6-nitro-Imidazo[1,2-a]pyridine-2-acetic acid,
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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 | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number