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
-2.7861 -0.4826 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 -1.0587 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3859 -0.3160 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2753 1.0120 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9664 1.6502 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1364 0.9553 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0519 -0.3768 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8241 -0.9965 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 -1.4036 0.4223 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.8444 0.5538 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6927 -1.0985 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 -2.1128 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 1.5845 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9637 2.6899 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0963 1.4450 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7415 -2.0449 0.5171 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