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
-2.3085 0.0780 -0.6208 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.6025 -0.0096 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4548 0.0119 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5882 -0.1043 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 -0.1658 -0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 -0.1333 -2.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -0.0409 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3272 0.0819 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2989 0.2821 -2.5011 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