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
-2.1627 0.2059 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4298 -0.4067 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0776 -0.0082 0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6504 -0.3606 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0266 -1.0366 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0486 0.0108 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6352 0.7064 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9545 -0.5238 -2.1067 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2586 -0.5777 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5603 1.0154 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1554 0.6006 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 -0.0830 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5070 -1.5171 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6550 0.9950 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0703 0.9798 1.2940 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