| CAS Number | 1245649-58-4 |
| Catalog Number | AG000MD9(AGN-PC-09MQW4) |
| Chemical Name | 6-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazole |
| IUPAC Name | 6-bromo-1-(oxan-4-yl)benzimidazole |
| InChI | InChI=1S/C12H13BrN2O/c13-9-1-2-11-12(7-9)15(8-14-11)10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2 |
| InChI Key | FFOAWGHMBUULGH-UHFFFAOYSA-N |
| MDL Number | MFCD18072651 |
| Molecular Formula | C12H13BrN2O |
| Molecular Weight | 281.1484 |
| SMILES | BrC1=CC=C2N=CN(C3CCOCC3)C2=C1 |
| Synonyms | 6-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazole,
1245649-58-4,
AK-99899,
6-Bromo-1-(oxan-4-yl)-1H-benzimidazole,
SCHEMBL13967316,
CTK8B7296,
DTXSID80681018,
FFOAWGHMBUULGH-UHFFFAOYSA-N,
4647AA,
ANW-56961,
MFCD18072651,
ZINC64034125,
AKOS016002641,
DS-17689,
AJ-114728,
AX8162428,
TC-145706,
ST24029630,
1H-Benzimidazole, 6-bromo-1-(tetrahydro-2H-pyran-4-yl)-,
C12H13BrN2O,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.153g/mol |
| Monoisotopic Mass | 280.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number