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
    0.6641    1.6308    1.3398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1619    0.3434    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973    0.0580   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521   -0.4147    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817   -1.3293   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900    0.6208   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -0.7392   -1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6592   -0.1697    1.3837 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