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
-1.0977 1.1383 -0.4274 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 -0.2239 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7722 -0.9839 -0.8313 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3980 -0.8081 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3772 -0.0535 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 1.8299 0.5039 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.0441 1.4418 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 -1.8760 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3026 -0.4648 0.8063 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