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
    1.7810   -2.2299    0.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944   -0.9818    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832   -0.3129    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    1.0005    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    1.2606    0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1499    2.3861    0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908   -0.0023    0.4698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197   -0.0961    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2687    0.2717    1.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527    0.2091    1.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334   -0.2251    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059   -0.5969   -0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133   -0.5324   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -1.0536   -2.2935 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2695   -0.7558    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736    1.7589    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    0.6200    2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    0.5094    2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007   -0.2939   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8628   -0.9356   -1.8955 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