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
2.6181 -0.3197 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5233 -0.5566 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3532 0.0176 -0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8721 0.0203 -0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 -0.5412 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 0.6330 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1804 0.6034 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0008 1.4850 1.6204 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 0.6685 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6021 -1.0924 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.2082 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.1931 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3753 -1.6752 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2115 0.1210 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1066 1.0376 -0.3769 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