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
-1.8391 0.6659 -0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9266 -0.3352 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -0.1070 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -0.0047 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 0.0356 2.1557 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4188 1.4880 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.3100 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7314 -0.5058 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -0.0861 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 0.1592 0.2108 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