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
1.5108 -0.0603 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6126 0.6853 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3892 0.8891 0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 -0.1380 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0502 -1.3095 0.3549 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7028 0.1629 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4819 -0.8036 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2386 1.9589 1.5589 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3831 0.2238 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 0.1537 -2.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6483 -1.1533 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0629 1.6768 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3192 0.1434 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.8225 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4114 -0.6066 2.1344 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