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
3.0852 1.4657 0.8856 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8198 -0.2334 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5591 -0.2774 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6146 -0.3464 -1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 -0.2396 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8797 -0.2897 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 -0.1988 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7846 0.8090 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7367 -0.8640 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6505 -0.5207 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 0.5004 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9668 -1.2877 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 -0.9637 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 1.5582 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 0.8881 1.1763 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