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
3.6347 1.2914 0.6183 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8213 -0.2850 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.3906 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 -0.8144 -1.1718 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3553 -0.0501 0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7514 -0.2304 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0090 0.1444 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0995 0.4777 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6249 -1.0289 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6853 -0.5613 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7629 -1.3808 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4349 0.2184 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9545 1.3190 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8121 1.2632 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5978 0.0273 1.4092 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