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
    2.0070   -0.5266   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7537    0.0566   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    1.2053   -0.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518   -0.5862    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5017    0.0216    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.7621   -0.2739 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.1021   -0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120   -1.5707    0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -0.4643    0.9300 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