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144235-83-6 | 1H-Pyrrole-2,5-dione, 1-(2,2,2-trichloro-1-hydroxyethyl)-
CAS No: 144235-83-6 Catalog No: AG001J55 MDL No:
Product Description
Catalog Number:
AG001J55
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(2,2,2-trichloro-1-hydroxyethyl)-
CAS Number:
144235-83-6
Molecular Formula:
C6H4Cl3NO3
Molecular Weight:
244.4599
IUPAC Name:
1-(2,2,2-trichloro-1-hydroxyethyl)pyrrole-2,5-dione
InChI:
InChI=1S/C6H4Cl3NO3/c7-6(8,9)5(13)10-3(11)1-2-4(10)12/h1-2,5,13H
InChI Key:
BMKVFPMOIOACQX-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)N1C(=O)C=CC1=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.452g/mol
Monoisotopic Mass:
242.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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