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
   -1.1187    0.3332    2.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555    0.0648    1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945   -0.1393    1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864   -0.4007   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9712   -0.3844   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023   -0.5994   -1.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -0.0952    0.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    0.0087   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3191   -0.8324    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844   -0.7297    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1842    0.2046   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065    1.0497   -1.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9649    0.9276   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319    2.0948   -1.8497 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8316   -0.0691    1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2522   -0.5894   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787   -1.5692    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -1.3783    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2304    0.3218   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    1.7817   -1.8833 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