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
4.1657 0.9227 -0.5870 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8248 0.3073 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5529 0.3008 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.7007 -1.6307 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 -0.1331 0.0988 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 -0.1778 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8735 -0.7167 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9438 -0.0304 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6472 0.8945 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0281 -0.7771 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1799 0.8173 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8628 -0.8620 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 -1.7221 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0863 0.9509 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 -0.4749 1.4472 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