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
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
3.7526 0.8836 -0.4869 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6875 -0.1238 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3393 -0.1544 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1553 0.4925 -1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 -0.8713 0.3775 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9784 -0.8816 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 0.4893 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6793 0.7806 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 -1.1669 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6522 0.2389 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6695 -1.6101 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7993 -1.1798 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 1.2544 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0396 1.7978 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2579 0.0507 0.8463 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