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
3.5745 1.6532 0.3281 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8695 0.0259 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 0.0644 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1870 0.0254 2.1638 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4153 0.1430 0.0171 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.1775 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 0.2616 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8159 -0.6413 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0003 -0.4680 -0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4700 -0.5322 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0850 0.9817 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0915 -0.7929 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8170 1.1157 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4890 -0.5185 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8796 -1.4954 -0.2117 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