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162742-39-4 | Benzeneacetyl chloride, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS No: 162742-39-4 Catalog No: AG001TDC MDL No:
Product Description
Catalog Number:
AG001TDC
Chemical Name:
Benzeneacetyl chloride, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS Number:
162742-39-4
Molecular Formula:
C16H10ClNO3
Molecular Weight:
299.7085
IUPAC Name:
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]acetyl chloride
InChI:
InChI=1S/C16H10ClNO3/c17-14(19)9-10-5-7-11(8-6-10)18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChI Key:
KPDUKXBEVXLEGW-UHFFFAOYSA-N
SMILES:
ClC(=O)Cc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.71g/mol
Monoisotopic Mass:
299.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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