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
2.1237 0.6054 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5758 -0.0416 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1718 0.0333 -0.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6888 -0.5158 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1662 -1.1124 1.3463 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1238 -0.4407 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7045 0.1754 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1941 -1.2312 1.6424 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 1.5277 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 -0.0997 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2082 0.8428 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 -1.0972 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 0.4393 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1052 0.6441 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7693 0.2706 -0.8268 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