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
   -2.3099    0.4336   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509    0.6287   -0.3685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -0.1782    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157   -1.1094    0.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223    0.0940   -0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -0.6328    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8108    1.4003   -1.3773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    0.9181   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712    1.0003    0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547   -0.6412    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -1.4421    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4606   -0.4713   -0.1382 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