Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate - CAS 1445322-61-1
Catalog: |
BB059840 |
Product Name: |
Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1445322-61-1 |
Synonyms: |
Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate; methyl 7-bromo-1-cyclopentylbenzimidazole-5-carboxylate; Methyl7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate; methyl 7-bromo-1-cyclopentyl-1H-benzo[d]imidazole-5-carboxylate |
IUPAC Name: | methyl 7-bromo-1-cyclopentylbenzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 323.19 |
Molecular Formula: | C14H15BrN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C(=C1)Br)N(C=N2)C3CCCC3 |
InChI: | InChI=1S/C14H15BrN2O2/c1-19-14(18)9-6-11(15)13-12(7-9)16-8-17(13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3 |
InChI Key: | RZOBDOXWWPSSLH-UHFFFAOYSA-N |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.03169 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.03169 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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