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
2.8443 -0.2476 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8554 0.6235 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4506 0.2827 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5080 1.2793 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 0.9686 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 -0.3132 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 -1.3016 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0102 -0.9876 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1692 -0.6877 0.4023 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8919 0.0605 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6347 -1.2904 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1614 1.6573 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1615 2.3034 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 1.7734 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6543 -2.3322 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 -1.7885 0.2097 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