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
-2.8205 0.4371 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4190 0.6048 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 0.0599 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 0.2414 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -0.6057 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8644 -1.5952 -0.9965 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8783 -0.3871 -1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1064 1.5406 -1.2925 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 1.3383 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8128 0.2482 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2279 -0.4430 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5451 -0.5311 1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -0.8821 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1348 0.7010 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9190 -0.7270 -2.0940 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