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
-2.7008 -0.8083 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9325 0.2220 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4946 0.1354 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2358 -1.0268 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6238 -1.0509 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3343 0.0958 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 1.2602 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 1.2823 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 2.9368 0.4583 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 0.0534 0.4062 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3086 -1.8018 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7867 -0.7335 -0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4018 1.1802 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 -1.9313 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1701 -1.9755 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1942 2.1618 0.5917 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