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
    2.3364   -0.1273   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0166   -0.5680   -0.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1036    0.1306    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    1.1890    0.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373   -0.3534   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824    0.3290    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -1.8503   -1.0346 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -0.9745    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6800    0.5408   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013    0.4477    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658    1.2625    0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4992   -0.0261    0.0257 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