Name: Name:2-[(2-bromothiophen-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG01B8BX
Rating: 90 (10 reviews)

2-[(2-bromothiophen-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

157664-45-4

Catalog Number:

AG01B8BX

Molecular Formula:

C13H8BrNO2S

Molecular Weight:

322.1771

Catalog Number:

AG01B8BX

Chemical Name:

2-[(2-bromothiophen-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number:

157664-45-4

Molecular Formula:

C13H8BrNO2S

Molecular Weight:

322.1771

MDL Number:

MFCD28246464

IUPAC Name:

2-[(2-bromothiophen-3-yl)methyl]isoindole-1,3-dione

InChI:

InChI=1S/C13H8BrNO2S/c14-11-8(5-6-18-11)7-15-12(16)9-3-1-2-4-10(9)13(15)17/h1-6H,7H2

InChI Key:

PEXSAHYRRSXSND-UHFFFAOYSA-N

SMILES:

O=C1N(Cc2ccsc2Br)C(=O)c2c1cccc2

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.176g/mol

Monoisotopic Mass:

320.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1