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
    1.1388    0.9571    2.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906    0.5910    1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124    0.5950    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    0.1344   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -0.1959   -0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065   -0.6617   -1.9791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    0.0933    0.1363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248   -0.0993   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637   -1.3450   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -1.4930   -0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055   -0.4272   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    0.8023   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927    0.9633    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.6702    0.5372 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    0.9334    1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337    0.0279   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696   -2.1552   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -2.4730   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2658   -0.5869   -0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971    1.6691    0.0553 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