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
1.5363 -1.9682 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9016 -1.7620 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2108 -0.5135 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4503 -0.3562 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1115 0.8086 -1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1621 1.8800 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 1.7465 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1566 0.5611 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 3.4635 -1.2062 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 -1.2186 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0286 -2.9109 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8792 -2.5514 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4204 -1.1897 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6228 0.9198 -2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5540 2.5815 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 0.5095 1.7936 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