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
-2.7994 0.5055 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8991 -0.4379 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4702 -0.2393 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -1.3269 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7694 -1.1740 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 0.0836 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.1583 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0549 1.0157 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1866 0.3195 0.5333 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8684 0.3099 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 1.5363 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2623 -1.4612 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0063 -2.3012 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 -2.0300 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8279 2.1388 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5802 1.9030 0.1692 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