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
-3.9024 -0.4021 -0.9652 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 0.1447 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3691 -0.3759 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1177 -1.0946 -1.0068 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3696 -0.0334 0.8407 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9743 -0.4500 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5921 -0.0107 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6637 0.7610 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6890 1.2585 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0191 -0.2456 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0638 -1.5672 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5325 -0.0105 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1737 -0.3161 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1217 1.0950 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0933 1.0663 -1.4958 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