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
   -1.6428    0.1166   -2.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.0344   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.2352   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -0.3608    0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842   -0.2509    1.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013   -0.3153    2.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9739   -0.0455    0.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    0.1180    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748    1.3453    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    1.4377   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348    0.3216   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -0.8959   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017   -1.0120   -0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768   -2.7259   -0.2731 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -0.2741   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0342   -0.5185    1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581    2.2292    0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797    2.4291    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.4354   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -1.7645   -0.4106 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