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
3.1002 1.1106 1.3258 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 0.4847 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4813 -0.3944 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 -1.6104 0.1173 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 0.0921 -0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8584 -0.8454 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2073 -0.2590 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 1.0133 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5044 -0.1140 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.3008 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7593 -1.6127 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7393 -1.2677 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0441 -0.9680 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4480 1.3919 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6174 1.6782 -0.5286 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