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
    1.2393    1.5107    1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.9200   -0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773   -0.0751    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260   -0.3923    1.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942   -0.7547   -1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -1.6764   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570   -0.3283   -2.6889 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1979    2.0779    1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    0.7008    2.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820    2.1729    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -2.2266   -1.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -1.9286   -0.1663 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