Monomers
2,4-Dibromostyrene
Identifiers
IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-2.7842 0.1692 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 -0.5199 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 -0.2198 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 -1.2868 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 -1.1220 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3399 0.1587 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4731 1.2212 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0838 1.0358 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0487 2.5811 -0.1317 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2264 0.4578 -0.0280 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8458 -0.0915 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5681 1.0261 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 -1.4017 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0152 -2.2918 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -1.9509 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8204 2.2345 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers