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
    2.0499   -0.6008    0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -0.5960    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305    0.5764   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    1.5909   -0.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    0.6617   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1813   -0.3845   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492    2.1494   -0.9390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.4021   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488    0.2660    1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186   -1.5601    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663   -1.3313    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -0.3696   -0.3996 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