| CAS Number | 1171571-17-7 |
| Catalog Number | AG019N8W |
| Chemical Name | 4-(1H-imidazol-1-yl)-3-nitrobenzoic acid hydrochloride |
| IUPAC Name | 4-imidazol-1-yl-3-nitrobenzoic acid;hydrochloride |
| InChI | InChI=1S/C10H7N3O4.ClH/c14-10(15)7-1-2-8(9(5-7)13(16)17)12-4-3-11-6-12;/h1-6H,(H,14,15);1H |
| InChI Key | ZDNPZXIUINEQGF-UHFFFAOYSA-N |
| MDL Number | MFCD11505505 |
| Molecular Formula | C10H8ClN3O4 |
| Molecular Weight | 269.6412 |
| SMILES | Cl.OC(C1=CC([N+]([O-])=O)=C(N2C=NC=C2)C=C1)=O |
| Synonyms | 4-(1H-imidazol-1-yl)-3-nitrobenzoic acid hydrochloride,
1171571-17-7,
CTK5I2622,
NE15168,
EN300-39700,
AC1Q3EXJ,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.020333g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.64g/mol |
| Monoisotopic Mass | 269.020333g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number