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
    1.6310    0.7633   -2.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.3278   -0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    0.0997   -0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1878   -0.3622    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803   -0.4546    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -0.8462    2.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762   -0.0152    0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441    0.0528    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    0.7677    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5652    0.8206    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    0.1533   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190   -0.5572   -1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391   -0.6055   -0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293   -1.5888   -2.2590 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1960    0.2691   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0240   -0.6282    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.2825    1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0912    1.3952    1.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264    0.2103   -0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -1.0844   -1.8147 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