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
-2.7167 0.1563 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 0.5264 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4873 0.2060 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1397 -0.5209 -0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5054 -0.8266 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 -0.4029 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6521 0.3265 1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3063 0.6260 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1457 -0.8046 0.3563 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7648 0.4400 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 -0.4188 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3214 1.0971 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4610 -0.8636 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 -1.4060 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2755 0.6595 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1674 1.2054 2.0061 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