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
1.6419 0.5111 0.6577 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7922 -0.0609 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6053 0.3565 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 -0.5133 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0028 2.0542 -0.0770 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5779 0.2568 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9192 -1.1555 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1643 0.3411 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3366 -1.5719 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5861 -0.2181 0.3886 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