Monomers

(Z)-3-Bromoacrylic acid

Identifiers

IUPAC name
(Z)-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-UPHRSURJSA-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
   -2.0661   -0.6440   -0.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    0.1129    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0613    1.3279    0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154   -0.4170   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.3399    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   -0.3683   -0.0908 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9420   -0.2527   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5026   -1.4810   -0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    1.3822    0.3546 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