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
    2.2939    0.2812   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.7618   -0.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766   -0.1331   -0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256   -1.3576   -0.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566    0.3155   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4264   -0.5594   -0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    2.0124   -0.3732 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    1.1608    0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188   -0.0816   -1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4365   -0.4861    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2150   -1.6281   -0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612   -0.2857   -0.7622 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