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
-2.7480 -0.7395 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9212 0.2570 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4913 0.1354 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1724 -1.0332 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5518 -1.0807 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3172 0.0435 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 1.2170 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3091 1.2750 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5235 2.9493 -0.5923 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2317 -0.0637 0.2213 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8232 -0.6255 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3596 -1.7223 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 1.2340 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 -1.9569 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0850 -2.0109 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2630 2.1215 -0.2956 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