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
    2.0654   -0.5092   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -0.4502   -0.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061    0.4298    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132    1.1445    1.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    0.5372    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1408   -0.2367   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766    1.6524    1.5843 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4587   -1.5325   -0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858   -0.0531    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    0.1215   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801   -0.9311   -0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2176   -0.1725   -0.2988 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