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
    1.9481    0.6394    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435    0.5264    0.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093   -0.5330   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673   -1.3469   -0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3089   -0.6515   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    0.2334   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.9876   -1.6686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1720    1.5315    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898   -0.2765    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546    0.6534   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2227    0.1520   -0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255    1.0594    0.3984 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