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79722-40-0 | 1H-Pyrrole-2,5-dione, 3-(3,4-dichlorophenyl)-1-methyl-
CAS No: 79722-40-0 Catalog No: AG005HEQ MDL No:
Product Description
Catalog Number:
AG005HEQ
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(3,4-dichlorophenyl)-1-methyl-
CAS Number:
79722-40-0
Molecular Formula:
C11H7Cl2NO2
Molecular Weight:
256.0848
IUPAC Name:
3-(3,4-dichlorophenyl)-1-methylpyrrole-2,5-dione
InChI:
InChI=1S/C11H7Cl2NO2/c1-14-10(15)5-7(11(14)16)6-2-3-8(12)9(13)4-6/h2-5H,1H3
InChI Key:
XCCHYMZJYWGLOA-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)N1C)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
367
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:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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