Monomers
Ethyl 2-bromoacrylate
Identifiers
IUPAC name
ethyl 2-bromoprop-2-enoate
InchI
InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
UCDOJQCUOURTPS-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Br
Canonical SMILES
CCOC(=O)C(=C)Br
Isomeric SMILES
CCOC(=O)C(=C)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7BrO2
Heavy Atom Count
8
Molecular Weight
179.013
Exact Molecular Weight
177.9629
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4581
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
2.7906 -0.0766 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5091 0.1341 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3672 -0.0979 0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8844 0.0564 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9976 0.3968 -1.3719 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1026 -0.1709 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3022 -0.0212 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9743 -0.6920 2.4523 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 -0.9955 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6072 -0.1428 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 0.8267 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3978 -0.4910 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4417 1.1897 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1695 -0.1912 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4588 0.2754 -0.9287 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