| CAS Number | 1420800-41-4 |
| Catalog Number | AG009WYS(AGN-PC-0WAE2L) |
| Chemical Name | Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate |
| IUPAC Name | methyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C10H9BrN2O2/c1-13-5-12-8-4-6(10(14)15-2)3-7(11)9(8)13/h3-5H,1-2H3 |
| InChI Key | GMQSAUSZCHGSSN-UHFFFAOYSA-N |
| MDL Number | MFCD22689131 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | COC(=O)c1cc(Br)c2c(c1)ncn2C |
| Synonyms | Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate,
1420800-41-4,
ZINC95496066,
V3163,
C10H9BrN2O2,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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