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
1.8457 -0.3529 -0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6681 -0.2675 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4181 0.3875 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5481 -0.2397 -0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1980 2.0211 -0.8848 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3657 0.4974 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 -1.3138 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 0.2623 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3217 0.2540 -1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6640 -1.2484 -0.1827 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