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
-2.7937 -0.2193 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7878 0.6147 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 0.2339 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -1.0865 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2823 -1.4000 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2563 -0.4307 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9138 0.9110 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 1.2102 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2234 2.3001 0.2828 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7068 -1.2932 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8101 0.1849 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0240 1.6871 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 -1.8529 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 -2.4567 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 -0.6493 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2804 2.2466 -0.0760 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