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
    1.5166    0.9598   -2.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    0.4025   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.1089   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275   -0.4919    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214   -0.6178    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.1328    2.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977   -0.0613   -0.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.0108   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -1.1472    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528   -1.1088    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344    0.0735   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    1.2423   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269    1.1959   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699    2.8406   -0.1930 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    0.3359   -1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0937   -0.8206    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270   -2.0786    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1005   -2.0308    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3178    0.1455   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0512    2.1742   -0.1442 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