Name: Name:1H-Isoindole-1,3(2H)-dione, 2-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]-
Brand: Angene
SKU: AG0089CE
Rating: 90 (10 reviews)

1H-Isoindole-1,3(2H)-dione, 2-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]-

CAS No.:

889651-04-1

Catalog Number:

AG0089CE

Molecular Formula:

C16H11Cl2NO3

Molecular Weight:

336.1694

Catalog Number:

AG0089CE

Chemical Name:

1H-Isoindole-1,3(2H)-dione, 2-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]-

CAS Number:

889651-04-1

Molecular Formula:

C16H11Cl2NO3

Molecular Weight:

336.1694

IUPAC Name:

2-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]isoindole-1,3-dione

InChI:

InChI=1S/C16H11Cl2NO3/c17-12-7-9(8-13(18)14(12)20)5-6-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-4,7-8,20H,5-6H2

InChI Key:

RUKPJKCJRIKFSV-UHFFFAOYSA-N

SMILES:

O=C1N(CCc2cc(Cl)c(c(c2)Cl)O)C(=O)c2c1cccc2

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.168g/mol

Monoisotopic Mass:

335.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8