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
    2.9604    0.6996    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7214   -0.0592   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -1.2147   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    0.4372    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.5500    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.2865   -0.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    0.2790    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529   -0.5749    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414    0.3528    0.6681 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6911    1.6685    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632    1.0152   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060    0.1330    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8044   -1.6063   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971   -1.8344   -1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158    0.3566    1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170    1.3100   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689   -0.6755   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.5505    0.5484 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