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
2.7332 0.1606 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8922 0.5246 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4868 0.1762 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 -0.5467 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4466 -0.8563 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2931 -0.4451 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 0.2812 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 0.5812 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3334 1.5859 2.5723 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1608 -0.8731 0.0224 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4187 -0.4031 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 0.4417 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.0989 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5189 -0.8998 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8657 -1.4222 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4232 0.5961 1.8886 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