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
-2.7286 -0.2528 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4834 0.5442 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3580 -0.2725 0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9052 0.2422 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 1.4602 0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0855 -0.5853 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2591 -0.0549 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9057 -2.4103 -0.2493 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.5818 0.4157 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5587 -0.9424 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -0.8428 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.4434 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 0.9350 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3753 0.9811 0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1585 -0.6607 0.4072 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