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
-2.5689 -0.1070 -0.8662 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 -0.0926 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2622 -0.2051 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.0523 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2448 0.0636 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 0.1496 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1912 0.1726 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 -0.0334 1.3510 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