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
2.7914 2.0306 -0.1477 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 0.2537 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4113 -0.2226 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.4447 0.4029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4263 0.6799 0.6630 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8460 0.2566 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5686 -0.5562 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7391 -0.1889 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 -0.1164 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 -0.1126 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4393 1.1746 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7809 -0.2557 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 -1.4748 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2906 -0.7704 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2366 0.7468 -0.0712 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