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
   -1.5883    0.6753   -2.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940    0.1280   -1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -0.2838   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -0.8133    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456   -0.7790    0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511   -1.1805    2.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508   -0.1805   -0.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    0.0240   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3511   -1.0186    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178   -0.8170    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    0.4746    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.5425   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452    1.3185   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2526    2.7915   -0.2105 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1474   -0.1684   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9851   -1.2176    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822   -2.0350    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3630   -1.6807    0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    0.6440    0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    2.5759   -0.0542 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