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
3.3670 1.5088 0.8744 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6823 0.0616 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2222 0.2209 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6154 1.2933 0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 -0.8157 -0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8781 -0.7231 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 -0.4524 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4243 0.6404 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -0.7597 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2373 -0.2272 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 -1.7602 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 -0.0623 -1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7049 -1.1269 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0447 0.8816 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 1.3209 -0.6157 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