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
-0.4958 2.1878 -0.7635 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.4608 0.4050 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 -0.1882 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 -0.2957 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8812 -1.4934 0.3194 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9961 0.2691 -0.5281 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 0.3451 0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 -1.2033 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8522 -0.0263 -0.0388 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