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
-2.7423 -0.5317 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8901 0.4566 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4584 0.2109 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0985 -1.0161 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4711 -1.2652 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3144 -0.1884 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7726 1.0758 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4174 1.2983 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3453 3.0322 0.3577 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2143 -0.3950 -0.0498 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4996 -1.5768 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8302 -0.3457 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 1.4516 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 -1.8789 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 -2.2607 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 1.9328 0.2260 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