Monomers

(E)-3-Bromoacrylic Acid

Identifiers

IUPAC name
(E)-3-bromoprop-2-enoic acid
InchI
InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InchI Key
POAWTYXNXPEWCO-OWOJBTEDSA-N
SMILES
OC(=O)/C=C/Br
Canonical SMILES
C(=CBr)C(=O)O
Isomeric SMILES
C(=C/Br)\C(=O)O
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
    1.6443   -0.0866    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214   -0.3243   -0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7262   -0.8344   -1.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167   -0.0141   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817    0.5183    0.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2869    0.9430    2.0937 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -0.7013   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315   -0.2277   -1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1092    0.7271    1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  1  7  1  0
  4  8  1  0
  5  9  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers