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
-3.3680 0.2775 1.0563 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7504 -0.3770 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3187 -0.0635 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7976 -0.4959 -1.7343 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5327 0.6582 0.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 0.9572 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6762 -0.2347 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6660 -0.4211 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 -1.4818 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3614 0.0535 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9804 1.5658 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1666 1.5503 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5156 -0.9846 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 0.2883 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3263 -1.2921 0.6681 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