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
-4.1685 0.7804 -0.2307 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.0574 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 0.2025 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 0.7614 -1.1889 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 -0.2567 0.3827 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 -0.1168 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 -0.6891 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0018 0.1196 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0855 -1.0152 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7936 0.6313 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9799 0.9673 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7588 -0.6123 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 -1.7351 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8759 -0.2648 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9992 1.1699 0.3725 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