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
2.8124 0.1799 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8244 -0.6408 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 -0.2439 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 1.0379 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 1.3961 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2642 0.4590 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8924 -0.8400 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 -1.1911 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2122 -2.1613 -0.7654 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6433 1.2166 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8321 -0.2021 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0752 -1.6897 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 1.7908 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5631 2.4159 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3190 0.6888 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 -2.2158 -0.5457 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