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
1.9481 0.6394 0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5435 0.5264 0.3807 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -0.5330 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9673 -1.3469 -0.8256 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3089 -0.6515 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1650 0.2334 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 -1.9876 -1.6686 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 1.5315 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1898 -0.2765 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4546 0.6534 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2227 0.1520 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8255 1.0594 0.3984 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