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
-1.9662 -0.6427 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2631 0.6862 1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0926 0.6188 0.7922 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5306 0.1900 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -0.1443 -1.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 0.1456 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3866 -0.2564 -1.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2313 0.6792 0.5548 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.8255 -0.5319 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3286 -1.4647 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4722 -0.9038 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 0.9882 2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8180 1.4885 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4282 -0.2946 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6784 -0.5581 -2.6712 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