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
2.8441 0.0543 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 -0.6949 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 -0.2745 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5437 -1.1659 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -0.8496 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 0.3489 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4155 1.2280 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 0.9093 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1916 2.1674 1.2299 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1976 0.8097 -0.0119 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 1.1214 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8425 -0.4231 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9881 -1.7946 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2064 -2.1076 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 -1.5365 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7059 2.2076 0.8801 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