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
    1.2911    0.5993   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799   -0.2401    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771   -0.8065    0.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5302   -0.4566    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181    0.1644   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683    1.3070   -1.5058 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    0.5201   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -1.1091    1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    0.0215    0.0859 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