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
    1.2676    0.8788    0.3644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.3461   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -1.1692   -0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -0.7034   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    0.1717    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9389    1.8558    0.7085 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2293    1.0743    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7901   -1.6804   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4587   -0.0816   -0.1007 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