Monomers

2-Bromoacrylic acid

Identifiers

IUPAC name
2-bromoprop-2-enoic acid
InchI
InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InchI Key
HMENQNSSJFLQOP-UHFFFAOYSA-N
SMILES
BrC(=C)C(=O)O
Canonical SMILES
C=C(C(=O)O)Br
Isomeric SMILES
C=C(C(=O)O)Br
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
    0.0287    2.3699    0.3260 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061    0.5248    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511    0.1248   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -0.4700   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -1.6555   -0.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0358   -0.0682    0.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420    0.8514   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -0.9081   -0.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359   -0.7691    0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  3  8  1  0
  6  9  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers