Monomers

2-Bromoacrylic acid

Identifiers

IUPAC name
2-bromoprop-2-enoic acid
InchI
InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InchI Key
HMENQNSSJFLQOP-UHFFFAOYSA-N
SMILES
BrC(=C)C(=O)O
Canonical SMILES
C=C(C(=O)O)Br
Isomeric SMILES
C=C(C(=O)O)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3BrO2
Heavy Atom Count
6
Molecular Weight
150.959
Exact Molecular Weight
149.9316
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.9796
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  9  8  0  0  0  0  0  0  0  0999 V2000
   -1.4992    2.1251    0.2941 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    0.4564    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -0.6900    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8507    0.4673    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174    1.5298    0.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -0.7218   -0.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7061   -1.6155   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279   -0.7394    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879   -0.8119   -0.3389 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
  3  7  1  0
  3  8  1  0
  6  9  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers