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
    2.2444   -0.3153   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893   -0.6480   -0.7139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0769    0.0662   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    0.9973    0.7221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -0.1884   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464    0.5377    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303   -1.4706   -1.1922 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.7381   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.9705    0.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948   -0.4415   -1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370    1.3386    1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088    0.3564    0.4595 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