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
1.6672 -1.0252 1.0293 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1506 -0.0509 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9931 0.3079 -1.1551 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 0.3336 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0882 -0.0650 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5727 0.9453 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1217 0.2326 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 -0.6782 1.3247 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