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
3.0915 -1.6749 -0.7283 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7540 0.0403 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3992 0.2830 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 1.4801 0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -0.6838 0.3563 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 -0.4064 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6318 0.4287 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7857 -0.0220 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 0.4293 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8663 0.5344 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7588 0.0586 1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -1.4117 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3153 1.4191 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1225 -1.0181 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4529 0.5433 -1.0709 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