Name: Name:tert-butyl 6-(benzyloxy)-8-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01ELJA
Rating: 90 (10 reviews)

tert-butyl 6-(benzyloxy)-8-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS No.:

1868105-53-6

Catalog Number:

AG01ELJA

Molecular Formula:

C21H24BrNO3

Molecular Weight:

418.3242

Catalog Number:

AG01ELJA

Chemical Name:

tert-butyl 6-(benzyloxy)-8-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS Number:

1868105-53-6

Molecular Formula:

C21H24BrNO3

Molecular Weight:

418.3242

MDL Number:

MFCD31691300

IUPAC Name:

tert-butyl 8-bromo-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C21H24BrNO3/c1-21(2,3)26-20(24)23-10-9-16-11-17(12-19(22)18(16)13-23)25-14-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3

InChI Key:

KIXBUTFIBMDTDZ-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(Br)cc(c2)OCc1ccccc1)OC(C)(C)C

Complexity:

472

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

418.331g/mol

Monoisotopic Mass:

417.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8