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
    2.1601    0.0152    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436    0.2135    0.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -0.3551   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -1.0569   -1.3991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277   -0.1652   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180    0.5689    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.8986   -1.7488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6058    0.9860    0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144   -0.3124   -0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200   -0.7500    1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    0.7346    0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892    1.0201    1.1542 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