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
3.7218 -0.5549 -0.7195 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4172 0.5215 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0816 0.0343 -0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 0.3878 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3005 -0.8186 0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -1.2890 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 -0.2268 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7508 1.0285 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.5942 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 1.5490 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3281 -2.0261 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8941 -1.8906 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9633 -0.5187 -0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8026 1.4237 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5443 1.7857 -0.2774 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