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
   -1.1664   -0.2715    2.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   -0.0774    1.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    0.0777    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    0.2623   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563    0.2399   -0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038    0.3792   -2.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834    0.0254    0.0621 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4294   -0.0766   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297   -1.1838    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -1.2628    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021   -0.2251   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.8725   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    0.9541   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    2.4622   -1.2577 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9316    0.0491    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2090    0.4085   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -1.9832    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853   -2.1050    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738   -0.2357   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    1.6905   -1.2081 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