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
   -1.6044   -2.3162   -0.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -1.0806   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287   -0.4795   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    0.8482   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287    1.2357    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895    2.4061    0.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868    0.0092   -0.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331   -0.0223   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1653    0.7630   -0.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    0.7438   -0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902   -0.0676   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -0.8408    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -0.8375    0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -1.9149    2.0649 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1429   -1.0835   -0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883    1.5054    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304    1.3940   -1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334    1.3443   -1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794   -0.1093   -0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -1.4975    1.5475 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