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
    2.2994   -0.3594   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9802   -0.7567    0.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857    0.0982   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    1.2106   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528   -0.2234    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.6495    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7654   -1.7740    1.0507 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    0.4123   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -1.2307   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960   -0.0136    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015    1.6000   -0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188    0.3872    0.3929 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