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
   -1.9048    0.4384    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744    0.3848    0.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -0.7153    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007   -1.7632    0.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -0.5455   -0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    0.5776   -1.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -1.8950   -0.7292 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484    1.3388    0.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.4466    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669    0.5442    1.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    0.6627   -1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    1.4192   -1.1218 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