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
2.9902 1.4781 0.8764 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 -0.1948 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5182 -0.6437 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -1.8176 -0.3273 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4137 0.1357 0.3485 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8884 -0.4197 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 0.5380 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8371 0.9456 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4177 -0.8525 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4783 -0.3023 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 -1.3259 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9724 -0.7399 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 0.9305 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8549 0.6180 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6018 1.6506 -0.1588 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