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
-2.2006 -0.5644 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 0.8101 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 0.9630 -0.2866 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 0.1661 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 -0.6673 1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0533 0.2393 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9706 -0.5478 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4780 1.5013 -1.6231 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.9091 -1.0365 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9892 -1.1912 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3222 -0.4579 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2864 1.5602 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 1.0365 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0184 -0.5197 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7811 -1.2917 0.9887 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