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
    1.2568    0.9766    0.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320   -0.2686   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8785   -1.0223   -0.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -0.7014   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    0.0738   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911    1.7944    0.6904 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    1.0407    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -1.6795   -0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899   -0.2138   -0.1291 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