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
    2.1580    0.3060   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    0.4330   -0.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.5785    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871   -1.6138    0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -0.4549    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607    0.6243   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -1.7710    1.0268 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4948    0.7246   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.7409   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    0.8884    0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2185    0.7264    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    1.4565   -0.4128 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