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
cid=

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
   -2.2255    0.1545    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    1.2006    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0661    0.6663    0.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6261   -0.4515   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -1.0146   -1.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -0.9291    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355   -0.3082    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -2.4695   -0.5084 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672   -0.8389    0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8765    0.4114    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431    0.0433   -0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876    1.5386   -0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3376    2.1134    0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    0.5543    1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4947   -0.6707    1.6636 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