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
    2.0715   -0.3202   -0.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930    0.2076    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719    1.4353    0.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.6669   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5614   -0.1546    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637    1.7057    0.3784 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8025    0.3337   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286   -1.7419   -0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.7985    0.0403 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