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
-2.7609 -0.0227 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -0.1013 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3408 0.0453 0.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8889 -0.0063 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9038 -0.1850 -1.5157 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 0.1307 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2717 0.0747 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1538 0.3974 2.2917 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 0.5459 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5233 0.5336 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1681 -1.0329 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4870 -1.1262 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 0.6545 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 -0.0779 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2542 0.1702 0.2167 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