Monomers

1-(2-bromophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
ZTHZEDRPKCLGAR-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Br
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6BrNO2
Heavy Atom Count
14
Molecular Weight
252.067
Exact Molecular Weight
250.9582
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.8785
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4463    0.6736   -2.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479    0.4381   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399    0.4425   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489    0.1477    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -0.0638    1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4949   -0.3631    2.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854    0.1200   -0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311   -0.0007    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052    0.6910    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5808    0.5778    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2394   -0.2555    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829   -0.9542   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998   -0.8323   -0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -1.8190   -2.1479 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1343    0.6520   -1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087    0.0675    1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7349    1.3546    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934    1.1226    1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3137   -0.3883    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088   -1.6104   -1.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers