Name: Name:tert-butyl 7-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01C47T
Rating: 90 (10 reviews)

tert-butyl 7-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS No.:

1158756-43-4

Catalog Number:

AG01C47T

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

Catalog Number:

AG01C47T

Chemical Name:

tert-butyl 7-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS Number:

1158756-43-4

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

MDL Number:

MFCD12408147

IUPAC Name:

tert-butyl 7-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

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

InChI Key:

QRHMCSWGZOZYDE-UHFFFAOYSA-N

SMILES:

BrCc1ccc2c(c1)CN(CC2)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