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
    1.1193    0.4272    2.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    0.2728    1.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1473    0.2520    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951    0.0676   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002   -0.0427   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7419   -0.2238   -2.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867    0.0872    0.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247    0.0517   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795    1.0973   -0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    1.0111   -0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2142   -0.1351   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -1.1777    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919   -1.0890    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -2.5427    0.9630 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.3682    1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335    0.0086   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7118    2.0132   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537    1.8454   -1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3060   -0.2205   -0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0003   -2.0706    0.4964 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