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
    2.3317   -0.0933   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588   -0.4757    0.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011    0.1737   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    1.1569   -0.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634   -0.2993    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186    0.2672    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3825   -1.7019    1.5095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.0123   -0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -0.5833    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054   -0.4800   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246    1.1156   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4390   -0.0924    0.5479 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