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
-2.9246 -0.0476 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 -0.2006 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 -0.6492 0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7119 -0.7895 0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6025 0.2735 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1997 1.3558 0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0478 0.1674 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9618 0.2272 -1.9998 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.1460 -0.0637 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5214 -0.7899 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2521 0.9532 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 -0.9240 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -0.8823 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6209 0.7980 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2616 0.5717 -0.9656 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