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
2.7647 0.5638 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 -0.4212 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 -0.2671 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 -1.3734 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 -1.2604 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 -0.0249 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5251 1.0810 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1387 0.9700 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3555 2.7990 -0.2568 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8101 0.3618 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4404 1.5738 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 -1.4623 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1049 -2.3691 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -2.1436 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4144 0.0996 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4605 1.8732 0.0148 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