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
2.4737 2.2700 -0.8701 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5797 0.5508 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2265 0.1247 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7352 0.6067 1.0768 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4743 -0.8226 -0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7999 -1.2573 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 -0.0437 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 0.3505 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 0.3746 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 -0.0375 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 -1.7438 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2061 -1.9162 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8737 0.5392 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9090 1.2122 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1144 -0.2075 1.8152 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