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
-2.3631 -1.0476 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9070 -0.4486 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5151 -0.0692 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4080 -0.3159 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7429 0.0665 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1147 0.6889 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2005 0.9469 1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1111 0.5576 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9434 1.2228 0.7420 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7258 -1.2821 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4248 -1.3303 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 -0.2548 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1913 -0.7929 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4801 -0.1164 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4680 1.4339 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 0.7410 2.0253 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