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
2.8441 -1.8249 -0.6992 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8693 -0.0661 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5311 0.5126 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4660 1.7772 -0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4307 -0.2909 -0.1109 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7836 0.4140 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8812 -0.5317 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 -0.5007 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1218 0.2593 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6453 0.3589 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6153 1.1388 1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 1.0189 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7933 -1.2461 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0634 0.1912 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7546 -1.2105 -0.0723 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