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
-1.1174 1.1119 -0.1402 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 -0.2619 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9358 -1.0153 -0.2108 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4235 -0.8275 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4383 -0.0240 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2335 1.8542 0.1207 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.0657 1.4994 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5268 -1.9024 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4202 -0.4343 0.2813 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