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
4.1224 -0.1653 -0.4013 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 0.2899 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4954 -0.1754 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 -0.8009 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1330 0.0533 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7194 -0.4272 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -0.1038 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 0.5535 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1939 -0.1885 -1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 1.3980 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 -1.5423 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 -0.1039 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 -0.4350 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8287 0.8878 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5829 0.7597 -0.4970 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