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
-2.7974 -0.6498 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9128 0.2312 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4833 0.1552 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3747 1.1532 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 1.1253 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3095 0.1065 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4805 -0.8864 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1054 -0.8557 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1967 0.0859 -0.6500 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8609 -0.5656 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4783 -1.5040 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3054 1.0792 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0998 1.9514 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3493 1.9277 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9225 -1.6925 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5288 -1.6615 -0.9319 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