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
-3.1167 1.4808 -1.0703 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7382 -0.1523 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3858 -0.2800 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0024 -1.4057 0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 0.7651 0.1535 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8082 0.5824 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 -0.3811 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7859 0.0194 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4956 -0.4751 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9014 -0.8719 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3092 1.5682 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 0.2292 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 -1.4102 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1542 1.0332 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3890 -0.7021 -1.0694 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