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
-1.8020 -0.5646 -0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5149 -0.4537 -0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2162 0.5287 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 0.2519 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 2.1513 0.1288 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7916 -0.6268 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5525 -0.0592 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0464 -1.4595 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -0.7494 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 0.9813 1.3279 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