Name: Name:2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, phenylmethylester
Brand: Angene
SKU: AG00HZU9
Rating: 90 (10 reviews)

2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, phenylmethylester

CAS No.:

178445-27-7

Catalog Number:

AG00HZU9

Molecular Formula:

C16H14BrNO2

Molecular Weight:

332.1919

Catalog Number:

AG00HZU9

Chemical Name:

2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-, phenylmethylester

CAS Number:

178445-27-7

Molecular Formula:

C16H14BrNO2

Molecular Weight:

332.1919

MDL Number:

MFCD14635572

IUPAC Name:

benzyl 5-bromo-1,3-dihydroisoindole-2-carboxylate

InChI:

InChI=1S/C16H14BrNO2/c17-15-7-6-13-9-18(10-14(13)8-15)16(19)20-11-12-4-2-1-3-5-12/h1-8H,9-11H2

InChI Key:

LZCLZPXCOKSFNU-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)CN(C2)C(=O)OCc1ccccc1

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.197g/mol

Monoisotopic Mass:

331.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4