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
2.4404 -3.1129 -0.4422 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 -1.4287 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 -0.9624 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3811 -1.0105 1.3378 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 -0.4920 -0.8891 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1687 -0.0532 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1690 1.0982 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6313 2.2776 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7850 -1.2964 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8463 -0.7346 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 0.1916 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7290 -0.9207 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 0.9787 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 2.3448 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 3.1207 0.5241 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