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
    1.6375    1.7281   -1.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    0.7867   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    0.4212   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -0.5855    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7251   -0.9526    0.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -1.8729    1.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752   -0.0770    0.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -0.0408   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362   -1.1577   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099   -1.1557   -0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593    0.0304   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795    1.1628    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093    1.1411    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    2.7315    0.7410 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1685    0.9117   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -1.0821    1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386   -2.1014   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -2.0415   -0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2288    0.0675   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185    2.0864    0.1923 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