Monomers

(E)-3-Bromoacrylic Acid

Identifiers

IUPAC name
(E)-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-OWOJBTEDSA-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
    2.1037    0.0430   -0.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942    0.0634    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834    0.3893    1.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543   -0.2697   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5507   -0.2286   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7181    0.2645    1.7434 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7351    0.7686    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536   -0.5532   -1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396   -0.4774   -0.6868 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