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
1.8065 -0.1720 -0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.5761 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 -0.2493 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 -0.4216 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -1.0243 1.8667 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -0.1237 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3638 1.0762 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9277 1.3488 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 0.0303 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3242 -1.0404 0.3404 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