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
2.9317 1.6097 1.4212 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 0.7060 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1133 0.0344 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6076 0.1748 1.4593 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4234 -0.7575 -0.5774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7922 -1.3548 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8956 -0.4276 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 0.8830 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3308 1.3236 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1429 -0.1003 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 -1.9892 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1068 -2.0866 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8690 -0.8753 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7512 1.4652 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9789 1.3945 -0.2853 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