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
2.7632 -0.5154 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8662 0.3086 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4233 0.1493 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0594 -0.9153 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 -1.0141 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3018 -0.0800 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8136 0.9902 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4487 1.0916 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9743 2.3017 -1.3047 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5546 -1.3999 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8290 -0.3441 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2359 1.1668 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -1.6540 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 -1.8628 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3842 -0.1450 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0048 1.9225 -1.2336 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