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
-2.8773 0.1868 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5322 0.0002 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5947 -0.5736 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6604 -0.7549 -0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.2180 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4478 1.2818 0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9608 -0.1031 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 0.5360 -1.8887 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7340 0.8151 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2476 -0.7989 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5701 0.6135 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 -0.9124 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7375 -0.5900 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5555 -0.7619 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5143 0.8434 -0.8378 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