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
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
0.0622 2.1605 -0.3151 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0227 0.4272 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2015 -0.1587 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1643 -0.3844 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 0.1925 0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2582 -1.2158 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 0.4236 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0464 -1.4449 0.2831 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