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
-2.2484 0.0084 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2927 1.0118 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0397 0.6346 -0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -0.5263 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2427 -1.2564 1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9655 -0.8011 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 -0.0029 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 -2.3929 0.9842 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2776 -0.9375 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2526 0.4947 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9213 -0.1534 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 1.9503 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5982 1.2743 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 0.8995 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8293 -0.2031 -0.5644 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