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
-2.8593 0.0558 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4854 0.4286 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7002 -0.3697 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5721 -0.0030 -1.1139 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 -0.3187 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 -0.8978 0.8892 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0208 0.0205 -0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 2.0374 0.4260 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8871 0.0620 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5248 0.8828 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1734 -0.9330 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -1.3403 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 0.3042 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2588 0.9128 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6315 -0.8417 -0.1476 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