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
-2.3515 0.7101 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5295 -0.4660 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 -0.1057 0.0103 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8849 -0.8994 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6409 -2.0324 0.8209 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2490 -0.3725 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 0.8291 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7813 -1.3929 0.6948 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 1.3921 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6381 1.2883 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2047 0.4091 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 -0.7091 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 -1.3699 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4385 1.2315 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6395 1.4878 -0.5550 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