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
    2.1443    0.2511   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    0.3846    0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -0.6351   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2914   -1.7280   -0.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487   -0.4085   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991    0.7313    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588   -1.7269   -0.3981 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5238    0.9569   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   -0.7943   -0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    0.5443    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560    0.8645    0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.5599    0.6511 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