Monomers

2-Chloroacrolein

Identifiers

IUPAC name
2-chloroprop-2-enal
InchI
InChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2
InchI Key
ZWHANXMMZRUTAY-UHFFFAOYSA-N
SMILES
ClC(=C)C=O
Canonical SMILES
C=C(C=O)Cl
Isomeric SMILES
C=C(C=O)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3ClO
Heavy Atom Count
5
Molecular Weight
90.509
Exact Molecular Weight
89.9872
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.9378
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.0382    1.8913    0.3209 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306    0.3655    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.6100   -0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565    0.2160    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.8832    0.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139   -1.5462   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402   -0.4817   -0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561    1.0484    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  3  6  1  0
  3  7  1  0
  4  8  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers