Monomers

Allyl chloroacetate

Identifiers

IUPAC name
prop-2-enyl 2-chloroacetate
InchI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InchI Key
VMBJJCDVORDOCF-UHFFFAOYSA-N
SMILES
ClCC(=O)OCC=C
Canonical SMILES
C=CCOC(=O)CCl
Isomeric SMILES
C=CCOC(=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
0.9544
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -4.0298   -1.3536   -0.2230 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.0953   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -0.5251    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -1.6655    0.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728    0.2462    0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320   -0.2419    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    0.8416    0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9578    0.5985   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089    0.1463   -1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1078    0.8442    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509   -1.1434    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -0.4661    1.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532    1.8110    1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    1.3732   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352   -0.3702   -0.5305 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  1  0
  6  7  1  0
  7  8  2  3
  2  9  1  0
  2 10  1  0
  6 11  1  0
  6 12  1  0
  7 13  1  0
  8 14  1  0
  8 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers