Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
-2.7759 -0.3421 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 0.5961 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4627 0.2749 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0092 -1.0106 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.2789 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2932 -0.2556 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8377 1.0541 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4768 1.3121 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1646 -0.6136 -0.0496 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5873 -1.3934 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8300 -0.0597 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 1.6642 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6906 -1.8471 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6991 -2.3153 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4895 1.8984 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 2.3165 0.1093 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers