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
-1.3240 -2.4654 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7641 -1.2854 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1761 -0.9538 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3211 0.3440 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0114 0.9476 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 2.1713 -0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0442 -0.0607 -0.2202 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 0.0620 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0452 1.1229 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 1.2383 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1369 0.2854 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4718 -0.7706 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1003 -0.8836 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0287 0.3944 0.2967 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 -1.6978 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2758 0.8874 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 1.8842 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9450 2.0744 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 -1.5464 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6081 -1.7483 1.0520 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