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159600-87-0 | 1H-Pyrrole-2,5-dione, 1-[(3,4-dichlorophenyl)methyl]-
CAS No: 159600-87-0 Catalog No: AG001R7Q MDL No:MFCD00175128
Product Description
Catalog Number:
AG001R7Q
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[(3,4-dichlorophenyl)methyl]-
CAS Number:
159600-87-0
Molecular Formula:
C11H7Cl2NO2
Molecular Weight:
256.0848
MDL Number:
MFCD00175128
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione
InChI:
InChI=1S/C11H7Cl2NO2/c12-8-2-1-7(5-9(8)13)6-14-10(15)3-4-11(14)16/h1-5H,6H2
InChI Key:
VPWOZDFFUOJIJS-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.082g/mol
Monoisotopic Mass:
254.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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