Benzyl 7-bromo-3,4-dihydroisoquinoline-2(1h)-carboxylate - CAS 625127-09-5
Catalog: |
BB073792 |
Product Name: |
Benzyl 7-bromo-3,4-dihydroisoquinoline-2(1h)-carboxylate |
CAS: |
625127-09-5 |
Synonyms: |
BENZYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE; benzyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate; benzyl7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate |
IUPAC Name: | benzyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | Benzyl 7-bromo-3,4-dihydroisoquinoline-2(1h)-carboxylate |
Molecular Weight: | 346.22 |
Molecular Formula: | C17H16BrNO2 |
Canonical SMILES: | C1CN(CC2=C1C=CC(=C2)Br)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C17H16BrNO2/c18-16-7-6-14-8-9-19(11-15(14)10-16)17(20)21-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2 |
InChI Key: | RRSOZVJLXHQQSF-UHFFFAOYSA-N |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 345.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 345.03644 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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