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
-2.9980 0.0280 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5390 -0.3362 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6555 0.5993 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6846 0.6529 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -0.2252 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4207 -1.4427 -0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1471 0.1209 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1718 -2.0211 -0.1401 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0531 0.8714 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3618 0.3722 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6085 -0.7837 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1118 1.6459 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5833 -0.2738 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6605 -0.4128 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3112 1.2047 0.0057 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