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
   -1.6266    1.1622   -1.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.6129   -0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743    0.4787   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003   -0.1421    0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -0.4472    1.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754   -1.0333    2.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858    0.0387    0.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320   -0.0529   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -1.2564    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723   -1.3638    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483   -0.2451   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    0.9639   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    1.0590   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    2.7401   -0.4399 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916    0.8295   -0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0364   -0.3950    1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844   -2.1285    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9926   -2.3119    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -0.3462   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082    1.8376   -0.5195 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