| CAS Number | 14419-11-5 |
| Catalog Number | AG00AD8B(AGN-PC-0PV71A) |
| Chemical Name | 1-(3-CHLORO-2-HYDROXYPROPYL)-2-METHYL-4-NITROIMIDAZOLE |
| IUPAC Name | 1-chloro-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol |
| InChI | InChI=1S/C7H10ClN3O3/c1-5-9-7(11(13)14)4-10(5)3-6(12)2-8/h4,6,12H,2-3H2,1H3 |
| InChI Key | JCFLTWHMNZZBFW-UHFFFAOYSA-N |
| MDL Number | MFCD01721510 |
| Molecular Formula | C7H10ClN3O3 |
| Molecular Weight | 219.6256 |
| SMILES | O=[N+]([O-])C1=CN(CC(CCl)O)C(C)=N1 |
| Synonyms | 14419-11-5,
1-(3-Chloro-2-hydroxypropyl)-2-methyl-4-nitroimidazole,
BRN 0616417,
Ornidazole Isomer (Impurity),
alpha-(Chloromethyl)-2-methyl-4-nitro-1H-imidazole-1-ethanol,
1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-4-nitro-,
1-chloro-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol,
AC1L4AK0,
SCHEMBL11418348,
LS-78599,
C7H10ClN3O3,
C7-H10-Cl-N3-O3,
JCFLTWHMNZZBFW-UHFFFAOYSA-N,
CID203439,
5-23-05-00080 (Beilstein Handbook Reference),
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.625g/mol |
| Monoisotopic Mass | 219.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number