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
    1.2093    0.3170    2.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346    0.1460    1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    0.0895    0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -0.1015   -0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9518   -0.1881   -0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577   -0.3669   -2.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.0337    0.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.0421   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075   -0.8939    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   -0.8848    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -0.0333   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    0.8335   -0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776    0.7991   -0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0626    1.9986   -1.9763 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9733    0.1924    1.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809   -0.1932   -0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528   -1.5445    1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -1.5520    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948   -0.0421   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9795    1.5000   -1.6675 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