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116610-42-5 | 2,5-Pyrrolidinedione, 3-chloro-1-(2,4,6-trimethylphenyl)-
CAS No: 116610-42-5 Catalog No: AG000CUU MDL No:
Product Description
Catalog Number:
AG000CUU
Chemical Name:
2,5-Pyrrolidinedione, 3-chloro-1-(2,4,6-trimethylphenyl)-
CAS Number:
116610-42-5
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H14ClNO2/c1-7-4-8(2)12(9(3)5-7)15-11(16)6-10(14)13(15)17/h4-5,10H,6H2,1-3H3
InChI Key:
DBCPKXWMPWFWSK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)N1C(=O)CC(C1=O)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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