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
   -1.6129   -2.0438   -0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -0.8841   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2821   -0.3703   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842    0.8884    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693    1.2755    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.4023    0.6598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772    0.1374   -0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -0.0068   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987    0.2111   -1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.0807   -1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.2937   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -0.5178    1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -0.3788    1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1058   -0.6871    2.6946 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2216   -0.8991   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374    1.5348    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649    0.5002   -2.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562    0.2558   -2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113   -0.3978   -0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294   -0.8068    1.9967 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