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
-1.9685 0.3884 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7059 -0.5880 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 -0.7140 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5575 0.0566 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3426 -0.3864 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0486 -1.5179 0.7062 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4743 0.4189 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0572 -1.5343 -1.3498 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6899 -0.1039 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0380 0.7027 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5073 1.2550 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3662 -1.4444 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0204 0.9183 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1636 1.1451 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 -0.3223 1.1963 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