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
2.4022 1.3371 0.1013 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1561 0.1398 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5014 -0.9933 -0.5096 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 0.4120 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1665 -0.5101 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 1.4005 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1982 -0.2760 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9580 -1.5101 -0.3464 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