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
   -2.0799   -0.5179   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -0.4706   -0.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344    0.4018    0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055    1.0949    1.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    0.5154    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587   -0.1926   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    1.6021    1.4642 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059   -1.1071   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    0.5455   -0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3113   -0.9050    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711   -0.8810   -1.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -0.0854   -0.4465 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