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
-0.4835 1.9236 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 1.1560 0.1285 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0555 -0.1295 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4648 -0.6242 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1250 -0.9366 1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6017 -2.1681 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4339 -0.2794 2.8880 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2594 2.7134 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4667 2.4208 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7029 1.2497 -1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6475 -2.7591 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9488 -2.5667 0.3880 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