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
3.5638 0.5903 -1.3985 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5783 0.5526 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 -0.4098 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7007 -1.6327 -0.1214 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1159 -0.0293 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -0.9684 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2241 -0.2340 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2249 1.0758 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 0.2068 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2287 1.5802 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 -1.6308 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9004 -1.5707 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1315 -0.8128 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1529 1.6607 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 1.6220 0.1714 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