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
-2.9013 1.0776 -0.7790 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8255 -0.4561 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4319 -0.7873 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 -1.8155 1.1283 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4245 0.0906 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 -0.1818 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 0.9617 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7054 0.7499 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3861 -0.2972 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 -1.2478 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0466 -0.2664 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2069 -1.1281 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5540 1.9705 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9085 -0.2544 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2771 1.5846 -1.2828 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