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
-2.7393 -0.5586 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8022 0.2982 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4211 0.1423 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0019 -0.9248 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3270 -1.0069 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -0.0595 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 0.9953 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4932 1.1292 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0692 2.3482 -0.6779 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7630 -0.4064 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 -1.4222 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0775 1.1666 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 -1.7163 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 -1.8496 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3069 -0.1183 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 1.9829 -1.1794 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