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
2.7018 -0.7783 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9325 0.2459 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4827 0.1430 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -0.9921 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5882 -1.0218 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3509 0.0781 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6772 1.2158 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3005 1.2558 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6324 2.8302 0.9312 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2617 0.0458 -0.1380 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3529 -1.7486 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7976 -0.7042 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4295 1.1564 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3677 -1.8820 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 -1.9368 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2582 2.0928 0.5909 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