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
-2.2220 -0.6135 0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9146 0.5387 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6752 0.8454 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 0.1037 -0.0691 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6726 0.3370 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0045 1.2903 -0.9855 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 -0.5359 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 1.4729 -1.0834 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0019 -1.2119 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5335 -0.2774 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 -1.2427 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4466 1.6726 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4949 0.0357 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 -1.1608 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 -1.2540 -0.3729 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