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
    1.4678    1.9852   -1.3043 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    0.9588   -0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.5641   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.5566    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -0.9680    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   -1.9659    1.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727   -0.0113   -0.0553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -0.0286   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609   -0.6499   -1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325   -0.6503   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1883   -0.0358    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    0.5935    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365    0.5833    0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    1.4221    2.3541 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    1.0894   -0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.1422    0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -1.1266   -1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -1.1278   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2753   -0.0136    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328    1.0800    1.8583 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