Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
2.7597 -0.5890 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9503 0.2847 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1762 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1311 -0.8501 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 -0.8997 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3166 0.0551 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6903 1.0852 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3148 1.1320 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2280 -0.0577 0.0845 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 -1.4567 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8224 -0.4546 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3815 1.1144 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4389 -1.6253 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0247 -1.7092 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 1.8556 -1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2169 1.9392 -1.2453 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers