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
    1.6403   -0.9769   -2.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341   -0.4242   -1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.0654   -0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    0.5046    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    0.5713    1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    1.0494    2.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -0.0174   -0.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4137   -0.1099   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696   -1.2793    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -1.3499    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035   -0.2204    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851    0.9662   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864    1.0074   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    2.6180   -0.7425 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1781   -0.2484   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9333    0.8850    1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -2.1594    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9627   -2.2849    0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2773   -0.3044    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877    1.8386   -0.5090 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