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
3.3581 1.4542 -0.0942 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3777 0.2532 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 -0.0394 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9822 0.5570 -1.1298 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.9618 0.4465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 -1.2599 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 -0.1579 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7919 1.0829 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0990 0.7002 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9942 -0.6541 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7201 -1.6936 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5166 -2.0874 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 -0.4297 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9520 1.4551 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 1.7812 -0.2801 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