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
   -2.3365   -0.0603   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0571    0.4795    0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -0.1519   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -1.2219   -0.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.4441    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080   -0.1547   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    1.9391    1.1554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812    0.0794   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    0.5333    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428   -1.0998    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366   -1.0819   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486    0.2952    0.1580 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