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101422-55-3 | 1H-Pyrrole-2,5-dione, 3,4-bis(4-bromophenyl)-
CAS No: 101422-55-3 Catalog No: AG0004GJ MDL No:
Product Description
Catalog Number:
AG0004GJ
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-bis(4-bromophenyl)-
CAS Number:
101422-55-3
Molecular Formula:
C16H9Br2NO2
Molecular Weight:
407.0562
IUPAC Name:
3,4-bis(4-bromophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C16H9Br2NO2/c17-11-5-1-9(2-6-11)13-14(16(21)19-15(13)20)10-3-7-12(18)8-4-10/h1-8H,(H,19,20,21)
InChI Key:
RKSSTQUJOQCZMF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.898g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.061g/mol
Monoisotopic Mass:
404.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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