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
-2.2134 -1.1990 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7114 -0.0817 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 0.0546 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4023 -1.0080 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6126 -0.8106 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0202 0.4365 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 1.4955 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 1.3117 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 2.8482 -0.1077 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6839 0.6770 2.0053 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 -2.1185 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1789 -1.2567 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3237 0.8193 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 -2.0230 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2681 -1.6618 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4400 2.5163 1.1667 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