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
    1.4225    2.4661    0.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881    1.2610    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.8387    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -0.4817    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836   -0.9836    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -2.2242   -0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815    0.1082    0.0542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    0.0187   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981    0.3725   -1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699    0.2751   -1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2283   -0.1930   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5664   -0.5532    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -0.4515    0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -0.9840    2.6166 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    1.5026    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -1.0879    0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    0.7444   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180    0.5698   -2.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.2770   -0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -0.9210    1.6363 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