Monomers
(Z)-3-Bromoacrylic acid
Identifiers
IUPAC name
(Z)-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-UPHRSURJSA-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
1.8885 0.2051 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 -0.1904 -0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2353 -1.3244 -0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 0.6410 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3967 0.2026 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9940 -1.4888 0.1345 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 -0.4542 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1892 1.6022 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 0.8069 1.3479 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