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
-2.6085 1.0300 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9551 -0.0685 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5085 -0.1412 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1190 -1.3543 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4868 -1.5119 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3132 -0.4636 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7215 0.7353 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3257 0.8895 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 2.2304 0.7878 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.0736 1.9200 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7019 1.0887 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5656 -0.9323 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5503 -2.1781 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 -2.4672 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3823 -0.6185 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1122 1.8416 0.5397 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