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
    2.3146   -0.2133   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -0.6269   -0.2147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962    0.2172    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855    1.3791    0.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4359   -0.3204   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713    0.4405    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7249   -1.9784   -0.5125 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    0.3278   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5478    0.3903    0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -1.1406   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3391    1.4658    0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701    0.0590    0.1289 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