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
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
-1.5507 2.0752 0.1255 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 0.4341 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1653 -0.6332 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 0.3728 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2962 1.3948 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5083 -0.8247 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5899 -1.5418 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 -0.5972 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5240 -0.6801 0.2542 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