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
-2.7470 0.3727 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -0.5735 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4744 -0.2371 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0529 1.0085 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4192 1.2437 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2853 0.2160 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7400 -1.0460 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3960 -1.2919 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1683 0.5100 0.5321 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5334 1.4117 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7959 0.0692 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2351 -1.6042 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6074 1.8561 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7804 2.2419 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.8653 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0045 -2.3117 0.3133 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