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
2.7120 0.5330 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8734 -0.4485 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4528 -0.2307 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -1.3459 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7301 -1.2264 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 -0.0193 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4962 1.0773 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1276 0.9410 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 2.7509 -1.0021 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 1.5005 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7625 0.3731 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2572 -1.4210 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0506 -2.3075 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 -2.0759 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3645 0.0966 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 1.8027 -0.4264 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