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
2.7372 0.4541 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8630 -0.4134 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4428 -0.2217 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 -1.2069 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7853 -1.0948 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3001 0.0105 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4372 0.9711 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0530 0.8900 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1715 2.5111 -1.4696 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 1.3629 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7992 0.2486 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -1.2988 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 -2.0944 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4701 -1.8811 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 0.0806 -0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5734 1.6821 -0.8175 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