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
3.4113 1.4596 0.5173 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6961 -0.1187 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2691 0.0967 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7281 1.2489 -0.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 -0.9379 -0.6374 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9219 -0.7970 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7382 -0.2801 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4292 0.8508 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2790 -0.5069 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8508 -0.8107 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -0.1911 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2949 -1.8282 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 -0.8171 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0302 1.2349 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3669 1.3969 -0.8771 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