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
2.2685 -0.4068 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9136 -0.7813 0.2247 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0628 0.1586 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2381 1.3628 -0.0681 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4507 -0.2255 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3874 0.6750 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9026 -1.9446 -0.0826 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 -1.2829 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6014 0.0891 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3599 0.2981 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 1.7063 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4027 0.3513 -0.5097 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