| CAS Number | 857801-04-8 |
| Catalog Number | AG019NCW |
| Chemical Name | 2-(6-Nitro-1H-indazol-1-yl)acetic acid |
| IUPAC Name | 2-(6-nitroindazol-1-yl)acetic acid |
| InChI | InChI=1S/C9H7N3O4/c13-9(14)5-11-8-3-7(12(15)16)2-1-6(8)4-10-11/h1-4H,5H2,(H,13,14) |
| InChI Key | PDPCLJQBZJYUNV-UHFFFAOYSA-N |
| MDL Number | MFCD09805059 |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.1696 |
| SMILES | O=C(O)CN1N=CC2=C1C=C([N+]([O-])=O)C=C2 |
| Synonyms | 2-(6-nitro-1H-indazol-1-yl)acetic acid,
857801-04-8,
(6-nitro-1H-indazol-1-yl)acetic acid,
1H-Indazole-1-acetic acid, 6-nitro-,
AC1Q75WP,
CTK7J5155,
ZINC19397801,
AKOS000163572,
MCULE-1894530385,
NE60890,
EN300-40032,
AB01000454-01,
Z415636644,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number