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
    1.4891    2.3582    0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281    1.1851    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113    0.7599   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2259   -0.5392   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509   -1.0177   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -2.1972   -0.6004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    0.0538   -0.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159   -0.0133    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -0.1841    1.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824   -0.2460    1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -0.1423    0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524    0.0274   -0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    0.0882   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595    0.3242   -2.6998 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0691    1.4337   -0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0713   -1.1630   -0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775   -0.2680    2.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -0.3799    2.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933   -0.1946    0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2456    0.1148   -1.7274 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