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860786-82-9 | 2-{5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetonitrile
CAS No: 860786-82-9 Catalog No: AG00IO7J MDL No:MFCD04124568
Product Description
Catalog Number:
AG00IO7J
Chemical Name:
2-{5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetonitrile
CAS Number:
860786-82-9
Molecular Formula:
C15H11N3O2S
Molecular Weight:
297.3317
MDL Number:
MFCD04124568
IUPAC Name:
2-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C15H11N3O2S/c16-7-5-13-17-9-10(21-13)6-8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-4,9H,5-6,8H2
InChI Key:
DOBCPUVUVXAZLU-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(s1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.332g/mol
Monoisotopic Mass:
297.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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