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
4.2528 -0.4264 -0.1335 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7850 0.4924 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -0.2646 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7183 -1.4008 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3019 0.2703 -0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8059 -0.5298 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0876 0.1236 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 0.3913 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 0.7233 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7960 1.4211 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6801 -1.5001 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6780 -0.7002 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 0.3919 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8846 0.8726 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 0.1354 1.7257 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