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
3.6145 -0.1806 1.3221 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5812 0.6312 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4608 -0.3049 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 -1.4634 -0.5486 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 0.0075 -0.0375 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 -0.9292 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2145 -0.2728 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 0.9942 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1780 0.8682 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2149 1.6059 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8036 -1.4209 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8748 -1.7708 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -0.8515 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4370 1.6202 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 1.4670 0.4232 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