Name: Name:tert-Butyl 5-bromo-1-oxoisoindoline-2-carboxylate
Brand: Angene
SKU: AG004VLS
Rating: 90 (10 reviews)

tert-Butyl 5-bromo-1-oxoisoindoline-2-carboxylate

CAS No.:

864866-80-8

Catalog Number:

AG004VLS

Molecular Formula:

C13H14BrNO3

Molecular Weight:

312.1592

Catalog Number:

AG004VLS

Chemical Name:

tert-Butyl 5-bromo-1-oxoisoindoline-2-carboxylate

CAS Number:

864866-80-8

Molecular Formula:

C13H14BrNO3

Molecular Weight:

312.1592

MDL Number:

MFCD17392825

IUPAC Name:

tert-butyl 6-bromo-3-oxo-1H-isoindole-2-carboxylate

InChI:

InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-8-6-9(14)4-5-10(8)11(15)16/h4-6H,7H2,1-3H3

InChI Key:

AYNRRKAUKGRPMZ-UHFFFAOYSA-N

SMILES:

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

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.163g/mol

Monoisotopic Mass:

311.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8