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
2.6354 0.5724 1.4263 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -0.0295 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4701 0.0282 -0.0606 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3910 1.0544 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 2.1638 -0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7602 0.6210 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -0.6097 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3717 -1.0270 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 -2.1401 0.8667 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2377 -1.0863 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3414 0.5444 -0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6938 1.1332 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 -1.2248 0.5188 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