Monomers
Acryloyl chloride
Identifiers
IUPAC name
prop-2-enoyl chloride
InchI
InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2
InchI Key
HFBMWMNUJJDEQZ-UHFFFAOYSA-N
SMILES
ClC(=O)C=C
Canonical SMILES
C=CC(=O)Cl
Isomeric SMILES
C=CC(=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
-1.5372 -0.0912 1.6259 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -0.3026 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0568 -0.6567 -0.9077 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1647 -0.0520 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1368 0.3254 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 -0.1851 -1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9752 0.4673 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 0.4948 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
4 6 1 0
5 7 1 0
5 8 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers