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
    1.5191    1.6658   -1.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    0.7630   -0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182    0.3513   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2256   -0.6144    0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433   -0.8944    0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -1.7554    1.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866   -0.0291   -0.0893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407    0.0095   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -0.3500   -1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236   -0.3184   -1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554    0.0943    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766    0.4564    1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901    0.4201    1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    0.9341    2.6508 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    0.7692   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274   -1.1079    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -0.6736   -2.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   -0.6212   -1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360    0.1180    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820    0.7827    2.1003 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