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
-1.3755 -1.1001 -1.7983 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 -0.4827 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2498 -0.2422 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2679 0.4371 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 0.6809 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6113 1.2959 2.2188 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0361 0.1027 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4009 0.0694 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 -1.1728 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3378 -1.3062 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0924 -0.1676 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5358 1.0750 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1637 1.1759 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0031 -0.3006 0.3295 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.0745 -0.5810 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2063 0.7406 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3699 -2.0483 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8271 -2.2521 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 1.9448 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7069 2.1314 0.6713 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