Monomers

2-Bromoethyl methacrylate

Identifiers

IUPAC name
2-bromoethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H9BrO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InchI Key
AOUSBQVEVZBMNI-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCBr
Canonical SMILES
CC(=C)C(=O)OCCBr
Isomeric SMILES
CC(=C)C(=O)OCCBr
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9BrO2
Heavy Atom Count
9
Molecular Weight
193.04
Exact Molecular Weight
191.9786
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5006
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    2.3717    1.5166   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572    0.2309   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214   -0.8624    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894    0.2544   -0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    1.3513   -0.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5471   -0.8840   -0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -1.0339   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074   -0.4846    0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7398    1.3995    0.8777 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3288    1.5150    0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    1.7858   -1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    2.3398    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3752   -0.8392    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953   -1.7970    0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.1429   -0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2526   -0.5542   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898   -1.0581    1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8649   -0.7371    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers