Monomers
N-(4-Bromophenyl)maleimide
Identifiers
IUPAC name
1-(4-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FECSFBYOMHWJQG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Br
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
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
1.5236 -0.4347 2.3415 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 -0.4009 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2590 -0.5926 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3062 -0.4966 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 -0.2208 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6740 -0.0866 -2.3108 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0412 -0.1642 0.0166 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3668 0.0711 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0959 0.2556 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 0.4761 1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 0.5197 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4697 0.3379 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0907 0.1183 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0772 0.8170 -0.0611 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1063 -0.7899 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1923 -0.5995 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5943 0.2329 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0355 0.6205 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9766 0.3642 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5405 -0.0276 -2.0967 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
11 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
12 19 1 0
13 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers