| CAS Number | 1423037-39-1 |
| Catalog Number | AG009WYF(AGN-PC-0WAD8U) |
| Chemical Name | Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | ethyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C11H11BrN2O2/c1-3-16-11(15)7-4-8(12)10-9(5-7)13-6-14(10)2/h4-6H,3H2,1-2H3 |
| InChI Key | KEQMEUPRNILOCX-UHFFFAOYSA-N |
| MDL Number | MFCD23135970 |
| Molecular Formula | C11H11BrN2O2 |
| Molecular Weight | 283.1212 |
| SMILES | CCOC(=O)c1cc(Br)c2c(c1)ncn2C |
| Synonyms | Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate,
1423037-39-1,
ZINC95496085,
V3193,
C11H11BrN2O2,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.125g/mol |
| Monoisotopic Mass | 282g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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