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
   -2.1381    0.3162   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    0.4723   -0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743   -0.5065    0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4637   -1.4894    0.9084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.4359    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    0.5761   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -1.7017    1.0246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4211   -0.7231   -0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322    0.4699    0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857    0.9952   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    1.3954   -0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    0.6316   -0.3082 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