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100122-11-0 | 2,5-Pyrrolidinedione, 3-chloro-1-(4-ethoxyphenyl)-
CAS No: 100122-11-0 Catalog No: AG00010X MDL No:
Product Description
Catalog Number:
AG00010X
Chemical Name:
2,5-Pyrrolidinedione, 3-chloro-1-(4-ethoxyphenyl)-
CAS Number:
100122-11-0
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
IUPAC Name:
3-chloro-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H12ClNO3/c1-2-17-9-5-3-8(4-6-9)14-11(15)7-10(13)12(14)16/h3-6,10H,2,7H2,1H3
InChI Key:
NURGKYCEQPOTAS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N1C(=O)CC(C1=O)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.682g/mol
Monoisotopic Mass:
253.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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