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
3.0078 -1.3066 -1.1441 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 0.2875 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 0.3274 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9849 1.4283 0.7117 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5160 -0.7856 0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7104 -0.6850 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 0.3121 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 -0.0913 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6624 1.0625 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4690 0.5770 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5445 -0.2970 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2127 -1.6507 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 1.3525 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 0.5926 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 -1.1238 0.0188 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