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
-3.0565 1.5324 -1.5563 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2028 1.2661 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 0.1869 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -0.4072 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3688 -0.1827 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6263 -1.1328 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8181 -0.8750 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 0.2000 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6786 2.1824 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9293 0.9146 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2827 -2.1699 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9965 -1.1767 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 -1.6374 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2137 0.9667 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8681 0.3326 -1.2355 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