3-(3-Bromopropyl)-2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic Acid 1,1-Dimethylethyl Ester - CAS 1148017-48-4
Catalog: |
BB061957 |
Product Name: |
3-(3-Bromopropyl)-2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic Acid 1,1-Dimethylethyl Ester |
CAS: |
1148017-48-4 |
Synonyms: |
tert-butyl 3-(3-bromopropyl)-2-oxobenzimidazole-1-carboxylate; 3-(3-Bromopropyl)-2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic Acid 1,1-Dimethylethyl Ester; tert-Butyl 3-(3-bromopropyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate |
IUPAC Name: | tert-butyl 3-(3-bromopropyl)-2-oxobenzimidazole-1-carboxylate |
Molecular Weight: | 355.23 |
Molecular Formula: | C15H19BrN2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2=CC=CC=C2N(C1=O)CCCBr |
InChI: | InChI=1S/C15H19BrN2O3/c1-15(2,3)21-14(20)18-12-8-5-4-7-11(12)17(13(18)19)10-6-9-16/h4-5,7-8H,6,9-10H2,1-3H3 |
InChI Key: | ZLIRTGQTAUFQJN-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate, Methanol |
Appearance: | White Solid |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.05791 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.05791 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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