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
    2.1865    0.1848   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    0.4287    0.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141   -0.5883    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3498   -1.7403    0.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428   -0.3868    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985    0.7973    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903   -1.7462    0.6329 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5329    0.1549   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.0263    0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -0.7406    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321    1.6276   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1476    0.9826    0.1923 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