| CAS Number | 406236-04-2 |
| Catalog Number | AG0076DD(AGN-PC-03TYJH) |
| Chemical Name | 5-Bromo-1-butyl-1H-benzo[d]imidazole |
| IUPAC Name | 5-bromo-1-butylbenzimidazole |
| InChI | InChI=1S/C11H13BrN2/c1-2-3-6-14-8-13-10-7-9(12)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3 |
| InChI Key | JMTNSNPHDPUGKK-UHFFFAOYSA-N |
| MDL Number | MFCD21609568 |
| Molecular Formula | C11H13BrN2 |
| Molecular Weight | 253.1383 |
| SMILES | CCCCn1cnc2c1ccc(c2)Br |
| Synonyms | 5-Bromo-1-butyl-1H-benzo[d]imidazole,
406236-04-2,
ACMC-209jfm,
SCHEMBL2949195,
CTK8B1644,
DTXSID60627878,
5-bromo-1-butyl-1h-benzimidazole,
ANW-29456,
MFCD21609568,
ZINC40456651,
FCH1562886,
AJ-103278,
AX8240316,
TC-118201,
V5808,
C11H13BrN2,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.143g/mol |
| Monoisotopic Mass | 252.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number