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
-2.8429 0.3115 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8734 -0.5704 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4627 -0.2484 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0106 1.0204 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3885 1.2652 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 0.2551 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 -1.0255 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 -1.2582 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1797 0.5061 -0.3422 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5888 1.3410 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8873 0.0537 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -1.6180 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6658 1.8511 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7383 2.2784 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4842 -1.8758 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -2.2861 0.1958 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