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
-2.6865 -0.7180 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9308 0.3301 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4815 0.2324 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2855 1.4028 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6578 1.3644 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3467 0.1713 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -0.9831 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2022 -0.9589 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 -2.6480 -0.1805 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7805 -0.6285 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3456 -1.7408 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4073 1.3213 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2662 2.3410 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2247 2.2912 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4254 0.1232 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3498 -1.9003 0.0418 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