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
   -0.5031    1.9732   -0.8739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236    0.4023   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825   -0.5859   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    0.1728    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3211   -0.9613    1.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -1.5501    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865   -0.4076   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    0.9566    0.7200 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