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
    2.1467    0.2353    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.3415    0.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318   -0.3672   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091   -1.0449   -1.4246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.3321   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251    0.3676    0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979   -1.2257   -1.2696 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.2204   -1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    1.1136    0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -0.6824    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661    0.9370    1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0797    0.4371    1.0064 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