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
1.6166 0.3310 -2.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 -0.0040 -1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 -0.0442 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -0.4127 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4089 -0.4634 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6818 -0.1529 1.6298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8617 0.2120 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 0.2579 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5828 0.6587 -0.3684 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5066 0.3489 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7072 0.5976 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 -0.2588 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6644 -0.6648 1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2730 -0.7550 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5158 -0.1989 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9032 0.5485 -1.5847 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