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
-2.7556 -0.2297 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 0.5116 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4168 0.2672 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 1.3275 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8154 1.1551 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2807 -0.1377 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 -1.1895 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0700 -0.9926 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9991 -2.5827 -0.3704 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1412 -0.4656 0.7220 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8249 -0.0341 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6585 -1.0581 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1166 1.3322 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0555 2.3298 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4985 1.9877 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 -2.2211 0.2513 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