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
-1.1047 2.2171 -0.7176 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.4971 0.5156 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3288 -0.2773 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8757 0.1256 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6433 0.8874 -1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4003 -1.1011 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3393 0.0486 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -1.2521 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -1.1639 0.1442 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