Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
2.7575 0.4846 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8814 -0.4725 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4576 -0.2690 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4303 -1.3497 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7794 -1.1916 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3404 0.0310 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 1.1010 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1092 0.9548 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1967 2.8283 0.7581 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8302 0.3387 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 1.4908 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2331 -1.4747 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -2.3237 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4068 -2.0880 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4079 0.0948 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5259 1.8451 0.2561 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers