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
   -0.2634   -0.6693    2.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2086    0.1411    1.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -0.1028   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8040   -1.1004   -0.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.7740   -1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    0.5342   -2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415    2.1582   -0.8185 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -1.7308    1.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -0.4329    3.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -0.4322    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    1.1676   -3.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -0.3067   -2.7048 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