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
    2.3145   -0.0860    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    0.3032    0.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774   -0.0761   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   -0.7553   -1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3981    0.2830    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039   -0.0452   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373    1.2419    1.8175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6679    0.7656   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634   -1.0050   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0509   -0.2350    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394   -0.6303   -1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764    0.2392    0.0903 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