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
    2.2629   -0.3109    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878   -0.6503    0.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    0.1913   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.2533   -0.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -0.2219   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    0.5323   -0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078   -1.7267    0.7252 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4867    0.5583    1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176   -1.1809    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.1249   -0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1562    1.4656   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173    0.2149   -0.4802 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