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
3.1304 -0.0431 1.7635 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 0.6924 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5252 -0.1375 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8485 -1.1730 -0.9706 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1705 0.1794 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7414 -0.7342 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 -0.4108 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 0.6429 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3285 1.7536 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4651 0.6397 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5772 -1.7756 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5020 -0.7692 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8805 -1.0945 -0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6760 0.8499 0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9494 1.3800 0.6364 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