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
1.1611 0.6809 -0.8345 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1257 0.1949 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6974 0.1984 -2.0530 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8383 -0.3239 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 -0.3256 1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5166 0.3292 1.5539 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.8156 0.6436 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 -0.7014 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 -0.6961 2.2342 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