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
3.6461 -1.5654 -0.1111 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7720 -0.0545 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 -0.3551 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 -1.5302 0.2695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 0.6570 0.5432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9853 0.4333 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6174 -0.2149 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5915 0.3853 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 0.4241 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 0.5754 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4588 1.4071 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1880 -0.2213 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2342 -1.1956 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9351 1.3483 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0424 -0.0936 -1.9501 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