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
Resources
cid=

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
    2.7259    0.4841   -1.2496 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8948    0.1178    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -0.0171    0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817    1.0508    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.2460    0.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    0.5036   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7072   -0.7866   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027   -1.1711   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995   -2.3078   -0.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529   -0.7692    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.9785    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038    1.1030   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491   -1.4320   -0.5257 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