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
-2.2208 -0.1568 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4246 0.3722 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0667 0.5962 -0.8101 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6969 -0.4879 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 -1.5993 -0.3118 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1094 -0.3627 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6859 0.8238 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0759 -1.9022 0.5020 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.1241 -1.2572 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3075 0.0097 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0649 0.4023 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4874 -0.3676 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8823 1.3174 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7243 0.9197 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1478 1.6924 -0.4655 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