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113642-78-7 | 1H-Pyrrole-2,5-dione, 1-(2-bromo-4-methylphenyl)-3,4-dichloro-
CAS No: 113642-78-7 Catalog No: AG000977 MDL No:
Product Description
Catalog Number:
AG000977
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(2-bromo-4-methylphenyl)-3,4-dichloro-
CAS Number:
113642-78-7
Molecular Formula:
C11H6BrCl2NO2
Molecular Weight:
334.9808
IUPAC Name:
1-(2-bromo-4-methylphenyl)-3,4-dichloropyrrole-2,5-dione
InChI:
InChI=1S/C11H6BrCl2NO2/c1-5-2-3-7(6(12)4-5)15-10(16)8(13)9(14)11(15)17/h2-4H,1H3
InChI Key:
ONYDENYTYPCPNZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)N1C(=O)C(=C(C1=O)Cl)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.896g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.978g/mol
Monoisotopic Mass:
332.896g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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