| CAS Number | 24810-29-5 |
| Catalog Number | AG01A49E(AGN-PC-0WO3K4) |
| Chemical Name | 6-bromo-1-ethyl-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 6-bromo-1-ethylbenzimidazol-2-amine |
| InChI | InChI=1S/C9H10BrN3/c1-2-13-8-5-6(10)3-4-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12) |
| InChI Key | ISPNMRVYCBNKHM-UHFFFAOYSA-N |
| MDL Number | MFCD21194035 |
| Molecular Formula | C9H10BrN3 |
| Molecular Weight | 240.0998 |
| SMILES | CCN1C2=C(C=CC(=C2)Br)N=C1N |
| Synonyms | 6-bromo-1-ethyl-1H-1,3-benzodiazol-2-amine,
24810-29-5,
ZINC83739207,
AKOS014682176,
NE24541,
Z1953526050,
6-Bromo-1-ethyl-1H-benzimidazol-2-amine,
6-Bromo-1-ethyl-1H-benzo[d]imidazol-2-amine,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.104g/mol |
| Monoisotopic Mass | 239.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number