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
3.7790 -0.8845 1.1507 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 0.1637 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 -0.5044 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 -1.6603 0.3858 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 0.2174 -0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8580 -0.2770 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5878 -0.6134 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7321 -0.0245 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 0.4844 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4408 1.1134 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3786 0.5104 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7994 -1.1829 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1508 -1.3554 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1514 0.7168 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2367 -0.2892 1.4718 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