Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
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
15 14 0 0 0 0 0 0 0 0999 V2000
-2.7926 0.1611 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -0.4819 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.3546 -0.0341 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9019 -0.1685 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0582 -1.3708 -0.5054 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0904 0.6133 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2924 0.1080 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8753 2.2637 0.6604 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9272 0.6027 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9979 0.9444 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5590 -0.6593 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 -0.8488 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 -1.3388 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5115 -0.9063 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1445 0.7266 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers