Monomers
2-Chloroprop-1-enyl acetate
Identifiers
IUPAC name
2-chloroprop-1-enyl acetate
InchI
InChI=1S/C5H7ClO2/c1-4(6)3-8-5(2)7/h3H,1-2H3
InchI Key
OPZZKYKMMQTPEL-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)Cl
Canonical SMILES
CC(=COC(=O)C)Cl
Isomeric SMILES
CC(=COC(=O)C)Cl
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
1.6496
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
-2.7984 -0.8291 0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3475 -0.5246 0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6533 -0.1224 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6793 0.1374 0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5159 0.5632 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0466 0.7274 -2.1204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 0.8036 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 -0.7309 2.4942 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3087 -0.4957 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2570 -0.2613 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0073 -1.8869 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 0.0024 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1401 1.8899 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2217 0.2881 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5412 0.4389 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
2 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers