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
   -0.8045   -1.3593   -0.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623    0.0040   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094    0.4974   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    0.9039    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837    0.3976    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -1.4723    0.1850 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -2.0299   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    1.9933   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.0653    0.1808 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