Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=C1)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Br
Heavy Atom Count
9
Molecular Weight
183.048
Exact Molecular Weight
181.9731
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
3.0921
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
2.7262 -0.6619 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8768 0.2651 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4520 0.2056 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 1.2371 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7226 1.2382 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2936 0.1688 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4838 -0.8794 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 -0.8655 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3504 -2.3115 1.5399 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7751 -0.5800 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4128 -1.5502 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2813 1.1467 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0637 2.0954 -1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 2.0418 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3728 0.1632 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4540 -1.7134 0.7960 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
7 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers