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
-3.6759 -0.3722 1.2606 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7517 0.8348 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5676 0.2134 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6819 -0.2584 -1.4875 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3280 0.1214 0.2779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7297 -0.4844 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9331 -0.4454 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0138 0.1853 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4400 1.6976 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4796 1.2096 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5188 -1.5644 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9532 0.0490 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 -0.9552 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0425 0.6692 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8730 0.2127 0.7293 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