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
    2.0161   -0.5024   -0.2749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    0.1259   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877    1.3772   -0.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -0.6282    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -0.0199    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256    1.8591   -0.0343 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    0.0399   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -1.7176    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939   -0.5338    0.3850 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