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
    1.0070    1.8209   -1.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    1.0018   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    0.8538   -0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3213   -0.1055    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -0.6430    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -1.5531    1.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827    0.0569    0.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248   -0.0650    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937    1.0426    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    0.9750    0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.2285    0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4784   -1.3471    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   -1.2423   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691   -2.7720   -0.5679 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8528    1.4044   -1.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -0.4341    0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    1.9613    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253    1.8525    0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2986   -0.2933    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -2.2853   -0.1201 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