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
   -1.6145    1.9024    1.4526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    0.9006    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650    0.4602    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -0.6118   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049   -0.9478   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890   -1.9088   -1.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880    0.0291    0.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    0.0320    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1489   -0.9910    0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -1.0298    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479   -0.0492   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    0.9608   -0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    0.9953   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    2.4257   -1.4997 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1991    0.8886    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0240   -1.1900   -0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -1.7376    1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.8275    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284   -0.0456   -0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695    1.7444   -1.2303 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