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
-1.7785 0.2613 -0.6383 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 -0.6376 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 0.0532 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4908 0.3027 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3870 0.4978 2.0435 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5719 1.1592 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0831 -1.5232 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2460 -0.9513 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1404 0.8004 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9039 0.0374 -0.8385 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