| CAS Number | 1803320-52-6 |
| Catalog Number | AG00I019(AGN-PC-0WR3GI) |
| Chemical Name | 1-(Cyclopropylmethyl)-4-methyl-5-nitro-1H-imidazole |
| IUPAC Name | 1-(cyclopropylmethyl)-4-methyl-5-nitroimidazole |
| InChI | InChI=1S/C8H11N3O2/c1-6-8(11(12)13)10(5-9-6)4-7-2-3-7/h5,7H,2-4H2,1H3 |
| InChI Key | SVXYYAISAFZAHU-UHFFFAOYSA-N |
| MDL Number | MFCD29059353 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | Cc1ncn(CC2CC2)c1[N+]([O-])=O |
| Synonyms | 1803320-52-6,
1-(Cyclopropylmethyl)-4-methyl-5-nitro-1H-imidazole,
SCHEMBL17008899,
MFCD29059353,
ZINC261508471,
CS-0039810,
1H-Imidazole, 1-(cyclopropylmethyl)-4-methyl-5-nitro-,
1-(cyclopropylmethyl)-4-methyl-5-nitroimidazole,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.195g/mol |
| Monoisotopic Mass | 181.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number