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
    0.1351    2.1519    0.1084 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364    0.4267    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -0.1445    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654   -0.3697   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176    0.1240   -0.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1062    0.4874    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648   -1.2152   -0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046   -1.4605   -0.1026 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