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
    1.1982   -1.1351   -2.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038   -0.5043   -1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073   -0.2221   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918    0.4666    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8630    0.6760    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.2881    1.7242 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    0.0570   -0.2319 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4705    0.0158   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    1.0595   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    1.0209   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511   -0.0598    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948   -1.0941    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -1.0606    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -2.4542    1.2545 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -0.5302   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312    0.8029    0.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    1.8654   -1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1836    1.8010   -0.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273   -0.0591    0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471   -1.9338    1.2325 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