Name: Name:tert-butyl 5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01B71U
Rating: 90 (10 reviews)

tert-butyl 5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS No.:

2031269-14-2

Catalog Number:

AG01B71U

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

Catalog Number:

AG01B71U

Chemical Name:

tert-butyl 5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS Number:

2031269-14-2

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

MDL Number:

MFCD30345045

IUPAC Name:

tert-butyl 5-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-8-7-13-11(9-16)5-4-6-12(13)10-17/h4-6H,7-10H2,1-3H3

InChI Key:

VNEQMMUNYGMQAU-UHFFFAOYSA-N

SMILES:

BrCc1cccc2c1CCN(C2)C(=O)OC(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.234g/mol

Monoisotopic Mass:

325.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2