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
    1.4976    0.6023    2.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    0.3450    1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    0.3218    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0132   -0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -0.1816   -1.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576   -0.4897   -2.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653    0.0222   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -0.0832    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -1.2604   -0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531   -1.2728   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -0.2061    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763    0.9566    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969    0.9984    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    2.5752    0.9960 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0684    0.5343    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -0.0711   -1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.1087   -0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -2.2125   -0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2959   -0.2845    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820    1.8018    0.7952 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