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
    2.0843    0.2802    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4309    0.3231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -0.6075   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -1.7069   -0.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4516   -0.4704   -0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032    0.6612   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -1.8319   -1.1655 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    0.7176    1.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -0.7597    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716    0.9413   -0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.7840   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6277    1.5612    0.0272 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