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
2.6599 0.5153 1.3830 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9171 0.0311 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4704 -0.0028 -0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3379 -1.1115 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0897 -2.2740 0.6102 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7131 -0.6555 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8164 0.5941 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4322 1.0630 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1582 2.2417 -0.6990 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2603 0.7344 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -0.9923 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5482 -1.3252 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7193 1.1816 -0.2367 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