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98345-92-7 | 1H-Isoindole-5-carbonyl chloride, 2,3-dihydro-2-octyl-1,3-dioxo-
CAS No: 98345-92-7 Catalog No: AG006SK7 MDL No:
Product Description
Catalog Number:
AG006SK7
Chemical Name:
1H-Isoindole-5-carbonyl chloride, 2,3-dihydro-2-octyl-1,3-dioxo-
CAS Number:
98345-92-7
Molecular Formula:
C17H20ClNO3
Molecular Weight:
321.7986
IUPAC Name:
2-octyl-1,3-dioxoisoindole-5-carbonyl chloride
InChI:
InChI=1S/C17H20ClNO3/c1-2-3-4-5-6-7-10-19-16(21)13-9-8-12(15(18)20)11-14(13)17(19)22/h8-9,11H,2-7,10H2,1H3
InChI Key:
XBYLIUCZTQDGQY-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)Cl
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.113g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.801g/mol
Monoisotopic Mass:
321.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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