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
2.6400 -0.9871 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 0.1151 -0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4993 0.1213 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2611 -1.0101 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6615 -0.9599 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3274 0.2368 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 1.3802 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2060 1.3121 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8381 2.8983 -0.4475 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2254 0.2911 0.1030 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 -1.9760 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7366 -0.9741 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4726 1.0353 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2346 -1.9605 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 -1.8500 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0887 2.3275 -0.2646 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