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
    1.4193    2.0272    1.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    1.0084    0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314    0.5986    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -0.5261   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -0.9287   -0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253   -1.9348   -1.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    0.0506    0.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    0.0670   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1443    1.1239   -0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5122    1.1130   -0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230    0.0201   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490   -1.0494    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543   -1.0207    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957   -2.5445    1.1008 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    1.1202    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1178   -1.1011   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092    1.9957   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376    1.9575   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3018   -0.0588   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -1.9180    0.6026 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