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
    1.4613   -0.7698    2.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -0.4171    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2244   -0.3181    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512    0.0875   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651    0.2867   -1.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867    0.6711   -2.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9941   -0.0315   -0.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4278   -0.0046   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1695   -1.1563   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.1364   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    0.0229    0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5144    1.1762    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314    1.1590    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1439    2.7650    0.4432 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -0.5445    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    0.2647   -1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385   -2.0689   -0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -2.0503   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3359   -0.0199    0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863    2.0843    0.4681 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