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116330-66-6 | 1H-Isoindole-1,3(2H)-dione, 2-(2-chloro-2-cyclohexen-1-yl)-
CAS No: 116330-66-6 Catalog No: AG000C7A MDL No:
Product Description
Catalog Number:
AG000C7A
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-chloro-2-cyclohexen-1-yl)-
CAS Number:
116330-66-6
Molecular Formula:
C14H12ClNO2
Molecular Weight:
261.7036
IUPAC Name:
2-(2-chlorocyclohex-2-en-1-yl)isoindole-1,3-dione
InChI:
InChI=1S/C14H12ClNO2/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18/h1-2,5-7,12H,3-4,8H2
InChI Key:
LVLKLPMPJPNEGV-UHFFFAOYSA-N
SMILES:
O=C1N(C2CCCC=C2Cl)C(=O)c2c1cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.705g/mol
Monoisotopic Mass:
261.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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