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
2.7548 0.5154 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8762 -0.4716 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4358 -0.2516 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 -1.3821 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7498 -1.2451 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3533 -0.0085 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 1.0814 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1314 0.9922 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2657 2.8321 0.2091 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 0.3381 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4801 1.5563 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 -1.4747 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0541 -2.3744 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3774 -2.1191 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4261 0.1265 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4885 1.8851 0.1085 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