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144527-79-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-chloropropyl)thio]-
CAS No: 144527-79-7 Catalog No: AG001JP8 MDL No:
Product Description
Catalog Number:
AG001JP8
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-chloropropyl)thio]-
CAS Number:
144527-79-7
Molecular Formula:
C11H10ClNO2S
Molecular Weight:
255.7206
IUPAC Name:
2-(3-chloropropylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H10ClNO2S/c12-6-3-7-16-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChI Key:
YERHZQJOKOHLTN-UHFFFAOYSA-N
SMILES:
ClCCCSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.716g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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