Name: Name:methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate
Brand: Angene
SKU: AG01BV2I
Rating: 90 (10 reviews)

methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate

CAS No.:

60652-05-3

Catalog Number:

AG01BV2I

Molecular Formula:

C17H15NO3

Molecular Weight:

281.3059

Catalog Number:

AG01BV2I

Chemical Name:

methyl 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxylate

CAS Number:

60652-05-3

Molecular Formula:

C17H15NO3

Molecular Weight:

281.3059

MDL Number:

MFCD27952673

IUPAC Name:

methyl 2-benzyl-3-oxo-1H-isoindole-1-carboxylate

InChI:

InChI=1S/C17H15NO3/c1-21-17(20)15-13-9-5-6-10-14(13)16(19)18(15)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3

InChI Key:

VESWDADWCCQTAU-UHFFFAOYSA-N

SMILES:

COC(=O)C1N(Cc2ccccc2)C(=O)c2c1cccc2

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.311g/mol

Monoisotopic Mass:

281.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6