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
3.7604 -0.1082 1.7441 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 0.6056 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4055 -0.1350 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 -1.1432 1.1173 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4397 0.2844 -0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 -0.3486 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6235 -0.3780 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8126 0.1968 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 1.6295 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 0.6122 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -1.4075 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 0.1757 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.8714 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4476 0.1989 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 0.6890 -0.2957 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