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
-2.2522 0.4693 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5766 -0.8765 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -0.9073 -0.4892 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -0.0951 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4989 0.6895 0.8839 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 -0.1299 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 0.6381 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -1.3245 -2.1660 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.3091 0.3113 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3227 0.8670 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 1.2089 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5311 -1.1510 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2567 -1.6145 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 0.6022 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8382 1.3127 0.4906 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