| CAS Number | 1200114-01-7 |
| Catalog Number | AG000Q2I(AGN-PC-0WAB2O) |
| Chemical Name | 1H-Benzimidazole, 5-bromo-1-(1-methylethyl)- |
| IUPAC Name | 5-bromo-1-propan-2-ylbenzimidazole |
| InChI | InChI=1S/C10H11BrN2/c1-7(2)13-6-12-9-5-8(11)3-4-10(9)13/h3-7H,1-2H3 |
| InChI Key | MVNOCKJHUYTFKL-UHFFFAOYSA-N |
| MDL Number | MFCD21609571 |
| Molecular Formula | C10H11BrN2 |
| Molecular Weight | 239.1117 |
| SMILES | BrC1=CC2=C(N(C=N2)C(C)C)C=C1 |
| Synonyms | 5-Bromo-1-isopropylbenzoimidazole,
1200114-01-7,
5-Bromo-1-isopropyl-1H-benzo[d]imidazole,
ACMC-209a61,
SCHEMBL7726925,
CTK8A9416,
DTXSID10609700,
MVNOCKJHUYTFKL-UHFFFAOYSA-N,
ANW-17447,
MFCD21609571,
ZINC40456649,
AKOS022801820,
AJ-103276,
TC-106192,
5-Bromo-1-(propan-2-yl)-1H-benzimidazole,
Z8186,
1H-Benzimidazole, 5-bromo-1-(1-methylethyl)-,
C10H11BrN2,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.116g/mol |
| Monoisotopic Mass | 238.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number