Name: Name:tert-butyl 6'-bromo-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-2'-carboxylate
Brand: Angene
SKU: AG01AM2A
Rating: 90 (10 reviews)

tert-butyl 6'-bromo-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-2'-carboxylate

CAS No.:

1203682-77-2

Catalog Number:

AG01AM2A

Molecular Formula:

C16H20BrNO2

Molecular Weight:

338.2395

Catalog Number:

AG01AM2A

Chemical Name:

tert-butyl 6'-bromo-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-2'-carboxylate

CAS Number:

1203682-77-2

Molecular Formula:

C16H20BrNO2

Molecular Weight:

338.2395

MDL Number:

MFCD16619044

IUPAC Name:

tert-butyl 6-bromospiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carboxylate

InChI:

InChI=1S/C16H20BrNO2/c1-15(2,3)20-14(19)18-9-11-4-5-12(17)8-13(11)16(10-18)6-7-16/h4-5,8H,6-7,9-10H2,1-3H3

InChI Key:

CQNXYAZGLRIALR-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)C1(CC1)CN(C2)C(=O)OC(C)(C)C

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.245g/mol

Monoisotopic Mass:

337.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6