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
-2.8893 0.3024 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 0.4991 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6342 0.4093 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7456 0.5827 -0.4573 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5784 -0.4991 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0035 -1.6219 -0.0606 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0592 -0.3713 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8061 0.8550 2.0430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1643 -0.6837 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5152 1.0877 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 0.3162 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0680 0.1844 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5182 -0.6260 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3550 0.6424 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4307 -1.0773 0.6620 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