Monomers

Methyl 2-chloroacrylate

Identifiers

IUPAC name
methyl 2-chloroprop-2-enoate
InchI
InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InchI Key
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cl
Canonical SMILES
COC(=O)C(=C)Cl
Isomeric SMILES
COC(=O)C(=C)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.0595    0.5294    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    0.4888    0.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -0.5228   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591   -1.3832   -1.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422   -0.5958   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634    0.3276    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2179   -1.9040   -1.3660 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3957    1.3191    0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5306   -0.4208    0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    0.7856   -0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202    0.2501    0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627    1.1260    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers