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
2.8827 2.2358 0.0474 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5716 0.5164 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 0.2126 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4385 1.1409 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6400 -1.0753 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 -1.2565 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6262 -0.4082 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4273 0.5086 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2898 -0.1168 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7740 0.3098 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0314 -2.3115 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 -0.9658 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 -0.5622 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0849 1.1227 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4211 0.6495 1.1421 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