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
    2.1136    0.1748    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.1766    0.4373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -0.2513   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844   -0.6727   -1.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -0.2190   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829    0.2272    0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -0.7751   -1.9042 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -0.8559    0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713    0.6772    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789    0.7158   -0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.2379    0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4896    0.5645    1.3876 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