Home Other Building Blocks 2-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide

2-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide

CAS No.:
1803587-28-1
Catalog Number:
AG01ACHX
Molecular Formula:
C13H11BrN2O2S
Molecular Weight:
339.2076
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Product Description
Catalog Number:
AG01ACHX
Chemical Name:
2-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide
CAS Number:
1803587-28-1
Molecular Formula:
C13H11BrN2O2S
Molecular Weight:
339.2076
MDL Number:
MFCD26407996
IUPAC Name:
2-[2-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione;hydrobromide
InChI:
InChI=1S/C13H10N2O2S.BrH/c16-12-9-3-1-2-4-10(9)13(17)15(12)7-5-11-14-6-8-18-11;/h1-4,6,8H,5,7H2;1H
InChI Key:
XRYRBPWEGHHZMF-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2nccs2)C(=O)c2c1cccc2.Br
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.972g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.207g/mol
Monoisotopic Mass:
337.972g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties