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
2.8008 -0.5490 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6362 -1.0686 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 -0.3584 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8108 -0.9925 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0416 -0.3981 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1323 0.8739 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 1.5178 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 0.9084 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8394 1.7223 0.4803 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 0.4378 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7307 -1.0722 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6389 -2.0835 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7325 -2.0012 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9648 -0.9093 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0309 2.5264 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1758 1.4463 0.6653 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