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
-2.3464 0.8547 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 -0.3387 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1571 -0.0043 0.0502 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 -0.8966 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 -2.0037 0.8042 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 -0.5042 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5009 0.6791 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6059 -1.7630 0.3732 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.4117 0.7133 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 0.9565 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8878 1.7319 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8131 -1.1963 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6536 -0.5810 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.9371 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7480 1.4152 -0.7473 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