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
    1.5829   -1.5325   -1.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003   -0.8396   -0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -0.6726   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015    0.1305    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980    0.5335    1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    1.2961    2.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -0.0884    0.1308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    0.0340   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    1.2844   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    1.4502   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060    0.3656   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6329   -0.8873   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700   -1.0486   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -2.8167   -0.0734 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1718   -1.1027   -0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876    0.4948    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    2.1525    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8165    2.4444   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2682    0.5392   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197   -1.7368   -0.3305 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