Monomers
(E)-3-Bromoacrylic Acid
Identifiers
IUPAC name
(E)-3-bromoprop-2-enoic acid
InchI
InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InchI Key
POAWTYXNXPEWCO-OWOJBTEDSA-N
SMILES
OC(=O)/C=C/Br
Canonical SMILES
C(=CBr)C(=O)O
Isomeric SMILES
C(=C/Br)\C(=O)O
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
2.0307 -0.4863 -0.3353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 0.1104 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 1.3595 -0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4366 -0.6355 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5632 0.0168 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5375 1.9077 0.1192 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 -0.0716 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3925 -1.7316 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5300 -0.4695 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
5 6 1 0
1 7 1 0
4 8 1 0
5 9 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers