Monomers
2-Chloro-2-propen-1-ol
Identifiers
IUPAC name
2-chloroprop-2-en-1-ol
InchI
InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2
InchI Key
OSCXYTRISGREIM-UHFFFAOYSA-N
SMILES
OCC(=C)Cl
Canonical SMILES
C=C(CO)Cl
Isomeric SMILES
C=C(CO)Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H5ClO
Heavy Atom Count
5
Molecular Weight
92.525
Exact Molecular Weight
92.0029
Valence Electrons
30
Radical Electrons
0
tPSA
20.23
MolLogP
0.7312
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
1.6653 -0.2919 -0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7698 -0.4240 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.4434 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 -0.0971 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2183 2.1829 -0.1809 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 0.5062 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4115 -1.4654 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3017 -0.1965 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7338 -1.1804 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4537 0.5228 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
2 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers