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
2.8487 0.3555 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8645 -0.4244 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4514 -0.1971 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3934 -1.3098 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -1.1897 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 0.0438 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5631 1.1389 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 1.0128 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8450 2.6107 -0.4694 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 0.1687 0.3476 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6738 1.3090 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8964 0.1042 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 -1.3903 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 -2.2699 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3782 -2.0743 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9823 2.1119 -0.0747 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