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
    1.3978    0.8971   -2.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912    0.3807   -1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    0.1331   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -0.4031    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958   -0.5357    0.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755   -1.0104    2.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.0331   -0.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374    0.0603   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995    0.8181    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913    0.8791    0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369    0.1815    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925   -0.5774   -0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -0.6347   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -1.6892   -2.2373 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0633    0.3283   -1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317   -0.7229    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    1.3513    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9765    1.4826    1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3030    0.2473    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377   -1.1529   -1.6693 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