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
2.2928 -0.1585 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 1.0831 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1682 0.8048 0.7512 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6917 0.0758 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2629 -0.3228 -1.1564 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0608 -0.2541 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 -0.9442 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 0.3372 2.0004 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.3869 0.0192 0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 -0.5261 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0089 -1.0052 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4428 1.6789 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9818 1.6702 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8582 -1.1723 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 -1.2860 -1.3957 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