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
3.4029 -0.9642 1.7314 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -0.2772 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2721 -0.5231 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6925 -1.1206 1.1381 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4933 -0.0982 -0.8604 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9029 -0.3187 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 0.3047 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5540 1.2086 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 -0.8075 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9838 0.7937 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 -1.4300 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 -0.0386 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 0.0434 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8304 1.5325 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1131 1.6952 0.7924 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