| CAS Number | 73215-11-9 |
| Catalog Number | AG003ALY(AGN-PC-0JPKR4) |
| Chemical Name | 1-(1-Ethylpropyl)-5,6-dimethyl-7-nitro-1H-benzimidazole |
| IUPAC Name | 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole |
| InChI | InChI=1S/C14H19N3O2/c1-5-11(6-2)16-8-15-12-7-9(3)10(4)13(14(12)16)17(18)19/h7-8,11H,5-6H2,1-4H3 |
| InChI Key | PXECYAIQPVLQQT-UHFFFAOYSA-N |
| MDL Number | MFCD32206339 |
| Molecular Formula | C14H19N3O2 |
| Molecular Weight | 261.3196 |
| SMILES | C(C)C(CC)N1C=NC2=C1C(=C(C(=C2)C)C)[N+](=O)[O-] |
| UNII | YY4DOC4P28 |
| Synonyms | UNII-YY4DOC4P28,
73215-11-9,
YY4DOC4P28,
1-(1-Ethylpropyl)-5,6-dimethyl-7-nitro-1H-benzimidazole,
1H-Benzimidazole, 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-,
AC1L4FBL,
DTXSID30223462,
5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole,
CID155969,
1h-benzimidazole,1-5,6-dimethyl-7-nitro-,
1H-Benzimidazole,1- -5,6-dimethyl-7-nitro-,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.325g/mol |
| Monoisotopic Mass | 261.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number