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
-2.6838 0.4631 1.3390 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9121 -0.0505 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4624 -0.0063 -0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3795 -1.0693 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -2.1952 0.7025 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7618 -0.5903 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 0.6607 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4069 1.0931 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0418 2.2230 -0.8026 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2835 0.5463 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2520 -1.0998 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6066 -1.2155 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 1.2406 -0.2624 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