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
-2.7306 0.5991 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9178 -0.4290 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 -0.2485 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3545 -1.3783 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7139 -1.3106 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3118 -0.0633 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5662 1.0695 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1720 0.9469 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 2.8190 0.2601 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3908 1.6123 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8081 0.4587 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3095 -1.4344 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 -2.3569 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3504 -2.1838 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3975 0.0431 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4235 1.8562 0.1098 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