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
   -2.0689   -0.4536    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -0.3057    0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    0.2783   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    0.6498   -1.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476    0.4143   -0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    0.0115    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    1.1307   -1.8742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -0.9195    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3548   -1.0373   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4666    0.5881    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    0.0836    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   -0.4403    1.3397 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