Name: Name:2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG002A73
Rating: 90 (10 reviews)

2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester

CAS No.:

2055840-81-6

Catalog Number:

AG002A73

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

Catalog Number:

AG002A73

Chemical Name:

2H-Isoindole-2-carboxylic acid, 6-bromo-1,3-dihydro-1,1-dimethyl-, 1,1-dimethylethyl ester

CAS Number:

2055840-81-6

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

MDL Number:

MFCD30531329

IUPAC Name:

tert-butyl 5-bromo-3,3-dimethyl-1H-isoindole-2-carboxylate

InChI:

InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-9-10-6-7-11(16)8-12(10)15(17,4)5/h6-8H,9H2,1-5H3

InChI Key:

ZCYBWOWJMOPMEM-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)C(C)(C)N(C2)C(=O)OC(C)(C)C

Complexity:

362

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:

3.5