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
    1.7559    2.0157    0.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.8557    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    0.2134   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816   -1.0067   -0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507   -1.2679   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022   -2.3483   -1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9883   -0.1004   -0.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107    0.0736   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    1.1619   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883    1.3555   -0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1834    0.4551   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -0.6260    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912   -0.8347    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127   -2.3839    1.3451 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    0.7190    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8809   -1.7013   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681    1.9131   -1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8678    2.2098   -1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2449    0.6340    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1879   -1.3378    1.0956 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