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
-2.7911 -0.3893 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8961 0.4352 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 0.1634 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 -0.9357 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4568 -1.1233 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3409 -0.2039 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7959 0.9032 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4423 1.0945 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9995 2.1923 -1.2350 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 -1.2939 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8433 -0.1516 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.3378 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6059 -1.6771 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8339 -1.9987 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4029 -0.3195 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0323 1.9667 -1.0942 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