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
2.8277 0.1059 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 -0.5840 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -0.2381 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 0.8832 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 1.2070 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2322 0.4301 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9755 -0.6986 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -1.0160 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4429 -1.7866 0.7940 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 1.0049 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8126 -0.2069 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 -1.4992 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9131 1.5441 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3532 2.0958 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2678 0.6589 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4530 -1.9003 1.1711 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