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
-2.9331 0.0075 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 -0.4459 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6094 0.2353 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7264 -0.1346 -0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 0.3038 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2279 1.0684 1.2724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0927 -0.0980 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1617 -1.9053 1.0301 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2428 0.3850 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1064 0.8415 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6230 -0.8162 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 1.1266 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7263 0.7227 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 -0.2364 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2408 -1.0543 -0.2045 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