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16150-95-1 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(hydroxymethyl)-
CAS No: 16150-95-1 Catalog No: AG001VND MDL No:
Product Description
Catalog Number:
AG001VND
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(hydroxymethyl)-
CAS Number:
16150-95-1
Molecular Formula:
C5H3Cl2NO3
Molecular Weight:
195.9882
IUPAC Name:
3,4-dichloro-1-(hydroxymethyl)pyrrole-2,5-dione
InChI:
InChI=1S/C5H3Cl2NO3/c6-2-3(7)5(11)8(1-9)4(2)10/h9H,1H2
InChI Key:
OCBWUZUWTIWMOQ-UHFFFAOYSA-N
SMILES:
OCN1C(=O)C(=C(C1=O)Cl)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.983g/mol
Monoisotopic Mass:
194.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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