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
    1.6239    1.3716   -1.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992    0.6378   -0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    0.3070   -0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688   -0.4799    0.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -0.7161    1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2978   -1.4057    1.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619   -0.0010    0.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746    0.0486   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0789   -1.0322   -0.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4382   -1.0835   -0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.0472   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974    1.0272    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    1.0752    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387    2.5497    1.3161 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    0.6552   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956   -0.8898    1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.8588   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9356   -1.9390   -1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2904   -0.0860   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453    1.8669    0.7825 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