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141890-85-9 | 2,5-Pyrrolidinedione, 1-(3,5-dichloro-4-hydroxyphenyl)-
CAS No: 141890-85-9 Catalog No: AG001HBA MDL No:
Product Description
Catalog Number:
AG001HBA
Chemical Name:
2,5-Pyrrolidinedione, 1-(3,5-dichloro-4-hydroxyphenyl)-
CAS Number:
141890-85-9
Molecular Formula:
C10H7Cl2NO3
Molecular Weight:
260.0735
IUPAC Name:
1-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H7Cl2NO3/c11-6-3-5(4-7(12)10(6)16)13-8(14)1-2-9(13)15/h3-4,16H,1-2H2
InChI Key:
QOMHJMAQEXJDHU-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.07g/mol
Monoisotopic Mass:
258.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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