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
3.6014 -1.0698 -0.3620 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6809 0.2036 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3259 0.3274 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9317 1.4366 -0.5379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4695 -0.7496 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8031 -0.6092 -0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 0.3383 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7319 -0.0838 0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6212 -0.0322 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1846 1.1878 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.2126 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 -1.5931 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2551 1.3538 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3208 0.5940 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0815 -1.0913 0.4237 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