Monomers
Methyl 2-chloroacrylate
Identifiers
IUPAC name
methyl 2-chloroprop-2-enoate
InchI
InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InchI Key
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cl
Canonical SMILES
COC(=O)C(=C)Cl
Isomeric SMILES
COC(=O)C(=C)Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
H Bond Acceptors
2
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
12 11 0 0 0 0 0 0 0 0999 V2000
-2.0845 0.3045 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 0.5247 -0.1186 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 -0.5904 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4615 -1.7294 0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4948 -0.4653 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0774 0.7065 0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 -1.8972 0.7008 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 0.7514 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3472 -0.7722 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4527 0.7869 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1421 0.7783 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4814 1.6022 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
6 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers