Name: Name:Benzoic acid, 3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, methyl ester
Brand: Angene
SKU: AG000MAZ
Rating: 90 (10 reviews)

Benzoic acid, 3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, methyl ester

CAS No.:

1245646-74-5

Catalog Number:

AG000MAZ

Molecular Formula:

C16H12ClNO3

Molecular Weight:

301.7244

Catalog Number:

AG000MAZ

Chemical Name:

Benzoic acid, 3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, methyl ester

CAS Number:

1245646-74-5

Molecular Formula:

C16H12ClNO3

Molecular Weight:

301.7244

MDL Number:

MFCD17677286

IUPAC Name:

methyl 3-(4-chloro-3-oxo-1H-isoindol-2-yl)benzoate

InChI:

InChI=1S/C16H12ClNO3/c1-21-16(20)10-4-2-6-12(8-10)18-9-11-5-3-7-13(17)14(11)15(18)19/h2-8H,9H2,1H3

InChI Key:

GRTJZIYUVGAQLO-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1)N1Cc2c(C1=O)c(Cl)ccc2

Complexity:

428

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.726g/mol

Monoisotopic Mass:

301.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: