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
2.7726 0.4090 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8674 -0.4969 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -0.2713 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3970 -1.3472 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7511 -1.1246 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 0.0733 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5176 1.1391 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 0.9389 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2067 2.8580 0.7441 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 0.1635 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4786 1.4031 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 -1.4931 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0184 -2.3271 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4304 -1.9539 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3930 0.2465 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5194 1.7828 0.5055 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