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
    1.2569    2.4210    0.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    1.2438    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    0.9608    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -0.3634    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9803   -0.9988   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442   -2.2274   -0.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022    0.0261   -0.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148   -0.0710   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988   -0.3092   -1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4663   -0.4052   -1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -0.2663   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713   -0.0280    1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    0.0683    1.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270    0.3978    2.7646 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    1.6746    0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528   -0.8507    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284   -0.4213   -2.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244   -0.5931   -2.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3184   -0.3359   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968    0.0779    1.9284 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