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
   -1.5869   -0.7875    2.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -0.3958    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.2505    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411    0.1740   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    0.3336   -1.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    0.7201   -2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -0.0272   -0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.0085    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526   -1.0212   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404   -1.0476   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -0.0253    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463    1.0095    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1672    0.9956    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1651    2.3904    1.4618 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1191   -0.4713    1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080    0.3647   -1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092   -1.8175   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1004   -1.8634   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3105   -0.0872    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084    1.8151    1.1550 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