| CAS Number | 24786-55-8 |
| Catalog Number | AG01BJQC |
| Chemical Name | 5-Bromo-1-methyl-1H-benzimidazol-2-amine |
| IUPAC Name | 5-bromo-1-methylbenzimidazol-2-amine |
| InChI | InChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) |
| InChI Key | AAXWQLLNLMEEQX-UHFFFAOYSA-N |
| MDL Number | MFCD11868730 |
| Molecular Formula | C8H8BrN3 |
| Molecular Weight | 226.0732 |
| SMILES | NC2=NC1=CC(Br)=CC=C1N2C |
| Synonyms | 5-bromo-1-methyl-1H-1,3-benzodiazol-2-amine,
24786-55-8,
SCHEMBL16755302,
ZINC32500747,
AKOS009854062,
5-bromo-1-methyl-1H-benzo[d]imidazol-2-amine,
F8882-2766,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.077g/mol |
| Monoisotopic Mass | 224.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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