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Home > Indoles and Oxindole > 101749-72-8
101749-72-8 | 1H-Isoindole-5-carbonyl chloride, 2-butyl-2,3-dihydro-1,3-dioxo-
CAS No: 101749-72-8 Catalog No: AG0005DX MDL No:
Product Description
Catalog Number:
AG0005DX
Chemical Name:
1H-Isoindole-5-carbonyl chloride, 2-butyl-2,3-dihydro-1,3-dioxo-
CAS Number:
101749-72-8
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
IUPAC Name:
2-butyl-1,3-dioxoisoindole-5-carbonyl chloride
InChI:
InChI=1S/C13H12ClNO3/c1-2-3-6-15-12(17)9-5-4-8(11(14)16)7-10(9)13(15)18/h4-5,7H,2-3,6H2,1H3
InChI Key:
XWEVXKGPLWERJC-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)c2c(C1=O)ccc(c2)C(=O)Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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