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78139-78-3 | 1H-Isoindole-1,3(2H)-dione, 5-chloro-2-(2-hydroxyethyl)-
CAS No: 78139-78-3 Catalog No: AG0054Z0 MDL No:
Product Description
Catalog Number:
AG0054Z0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-chloro-2-(2-hydroxyethyl)-
CAS Number:
78139-78-3
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
IUPAC Name:
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
InChI:
InChI=1S/C10H8ClNO3/c11-6-1-2-7-8(5-6)10(15)12(3-4-13)9(7)14/h1-2,5,13H,3-4H2
InChI Key:
WGFBIMKHOTXNPG-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)c2c(C1=O)ccc(c2)Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.628g/mol
Monoisotopic Mass:
225.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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