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
    1.4450   -2.2502   -0.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -1.0792   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848   -0.5981   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1925    0.6732   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    1.1336    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058    2.2941    0.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9941    0.0159   -0.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -0.0257   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -1.0059    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4288   -1.0544    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.1133    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    0.8753   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762    0.9298   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    2.3337   -1.7944 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.2033   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996    1.2341   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -1.7847    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335   -1.8184    1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516   -0.1431    0.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2156    1.5865   -1.1017 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