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
    0.1652   -0.2270   -2.1094 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -0.3755   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665   -1.5293   -0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.7562    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951    0.5233    1.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275   -1.2135    2.1707 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -1.0255   -2.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    1.7520   -0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2774    1.3393    2.1437 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