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
2.8338 1.9722 0.1505 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6965 0.2095 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2419 -0.1274 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8149 -0.0980 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 -0.4484 -0.8536 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9193 -0.7641 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 0.3736 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3169 0.2416 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0241 -0.0943 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2611 -0.2944 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3601 -1.0419 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0745 -1.6675 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 1.3209 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8775 1.0901 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2793 -0.6718 1.6067 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