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
2.1128 0.2836 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 -0.8985 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2255 -0.9789 0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 0.0379 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 1.0700 -0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -0.1351 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8387 0.8581 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7243 -1.7405 0.6820 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.2787 0.8667 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 -0.0516 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7437 0.9031 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8958 -0.8125 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 -1.8632 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3926 1.7319 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8987 0.7289 -0.2808 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