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
-1.4856 -2.3507 0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9038 -1.1566 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3024 -0.7007 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3272 0.6210 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9462 1.0983 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 2.3011 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0511 -0.0061 -0.0221 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3689 0.0348 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0792 -0.9307 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 -0.9465 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1787 0.0147 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 0.9897 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1244 0.9872 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0825 0.0642 0.0582 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1701 -1.3707 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2038 1.2520 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 -1.6994 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 -1.7199 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0705 1.7651 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6116 1.7532 -1.2138 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