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
3.7349 1.2218 -0.6979 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 -0.2029 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 0.0946 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 1.2378 0.5205 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4053 -0.8164 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8077 -0.6106 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6108 0.5010 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8038 0.2308 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1742 -1.0950 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 -0.4358 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 -1.5548 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 -0.3382 1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 1.5263 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1868 -0.7659 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4117 1.0072 -0.6468 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