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
-2.6929 -0.7912 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9404 0.1539 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4951 0.1058 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2270 -0.9093 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 -0.8907 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 0.1473 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6270 1.1747 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 1.1417 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 2.5612 -1.4459 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2403 0.1515 -0.0234 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7828 -0.7590 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2335 -1.6306 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4820 0.9722 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 -1.7555 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1899 -1.6914 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1533 2.0193 -1.1002 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