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
    1.4738    1.3346   -1.8834 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    0.6708   -0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339    0.4260   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.3165    0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -0.6065    0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594   -1.3084    1.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706    0.0076    0.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592   -0.0189   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422    1.0744    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099    1.1190    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2215    0.0395   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.0324   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589   -1.0850   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -2.5996   -1.2396 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    0.8071   -0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -0.6530    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5919    1.9106    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9982    1.9952    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2879    0.0913   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168   -1.8559   -0.9450 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