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
    2.2842   -0.4164   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117   -0.3408   -0.7079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    0.0437    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110    0.2998    1.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040    0.1495   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    0.5064    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785   -0.2031   -2.1233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3867   -1.4079    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.3761    0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1189   -0.3332   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301    0.7236    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4334    0.6025   -0.0456 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