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87988-39-4 | 3H-Pyrrol-3-one, 2-(1,2-diphenylethenyl)-4,5-bis(trichloroethenyl)-
CAS No: 87988-39-4 Catalog No: AG004OTY MDL No:
Product Description
Catalog Number:
AG004OTY
Chemical Name:
3H-Pyrrol-3-one, 2-(1,2-diphenylethenyl)-4,5-bis(trichloroethenyl)-
CAS Number:
87988-39-4
Molecular Formula:
C22H11Cl6NO
Molecular Weight:
518.0468
IUPAC Name:
2-(1,2-diphenylethenyl)-4,5-bis(1,2,2-trichloroethenyl)pyrrol-3-one
InChI:
InChI=1S/C22H11Cl6NO/c23-16(21(25)26)15-19(17(24)22(27)28)29-18(20(15)30)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H
InChI Key:
MDBJHLWWWLXEIT-UHFFFAOYSA-N
SMILES:
ClC(=C(Cl)Cl)C1=C(C(=C(Cl)Cl)Cl)C(=O)C(=N1)C(=Cc1ccccc1)c1ccccc1
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.894g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.036g/mol
Monoisotopic Mass:
514.897g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.9
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