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64404-11-1 | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl chloride
CAS No: 64404-11-1 Catalog No: AG00JHPO MDL No:MFCD02170453
Product Description
Catalog Number:
AG00JHPO
Chemical Name:
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl chloride
CAS Number:
64404-11-1
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD02170453
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl chloride
InChI:
InChI=1S/C13H12ClNO3/c1-7(2)10(11(14)16)15-12(17)8-5-3-4-6-9(8)13(15)18/h3-7,10H,1-2H3
InChI Key:
NCWARQGSAYOFNE-UHFFFAOYSA-N
SMILES:
CC(C(N1C(=O)c2c(C1=O)cccc2)C(=O)Cl)C
Properties
Complexity:
370
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:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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