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
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
-2.7656 0.4636 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9219 -0.4926 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4946 -0.2362 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3947 -1.3017 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 -1.1149 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2915 0.1429 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 1.1976 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 0.9769 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1746 0.3439 0.1809 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4566 1.4553 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 0.2654 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 -1.4963 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0508 -2.2673 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4220 -1.9282 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8383 2.1622 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 1.8293 0.3547 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