Monomers
Maleimide, N-chloromethyl-
Identifiers
IUPAC name
1-(chloromethyl)pyrrole-2,5-dione
InchI
InChI=1S/C5H4ClNO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2
InchI Key
SMQIAQVRHOQLKW-UHFFFAOYSA-N
SMILES
ClCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCl
Isomeric SMILES
C1=CC(=O)N(C1=O)CCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H4ClNO2
Heavy Atom Count
9
Molecular Weight
145.545
Exact Molecular Weight
144.9931
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
0.1077
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
-2.2859 -0.4821 1.8153 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 0.0466 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 0.0523 0.0103 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4508 1.1246 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 2.2527 0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 0.6210 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6854 -0.6277 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2948 -1.0641 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 -2.1819 -0.7519 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3347 -0.6932 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2996 1.0680 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6945 1.1681 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4948 -1.2843 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
8 3 1 0
2 10 1 0
2 11 1 0
6 12 1 0
7 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers