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142142-16-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-chloro-1-ethyl-1-buten-1-yl)thio]-
CAS No: 142142-16-3 Catalog No: AG001HUV MDL No:
Product Description
Catalog Number:
AG001HUV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-chloro-1-ethyl-1-buten-1-yl)thio]-
CAS Number:
142142-16-3
Molecular Formula:
C14H14ClNO2S
Molecular Weight:
295.7845
IUPAC Name:
2-(4-chlorohex-3-en-3-ylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H14ClNO2S/c1-3-11(15)12(4-2)19-16-13(17)9-7-5-6-8-10(9)14(16)18/h5-8H,3-4H2,1-2H3
InChI Key:
WGEKXWGTXPCDRA-UHFFFAOYSA-N
SMILES:
CCC(=C(CC)Cl)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.781g/mol
Monoisotopic Mass:
295.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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