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
-2.4196 0.0003 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9160 0.1012 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6304 0.0975 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3370 -0.0025 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6644 0.0004 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9561 0.0913 -1.5363 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 -0.0989 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1294 0.2250 -1.9195 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 -0.6563 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4534 1.0036 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4215 -0.5169 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 0.1739 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1467 0.8926 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 -0.6917 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6288 -0.6196 0.1618 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