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
1.7308 0.7360 -1.1642 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 -0.5289 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 -1.5446 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2692 -0.4182 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9684 0.6694 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -1.1814 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 1.4819 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9772 0.7858 0.4676 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