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
2.7776 0.2612 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 -0.4969 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4995 -0.2216 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 -1.0528 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7335 -0.8502 0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3151 0.2003 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4697 1.0275 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0928 0.8182 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2072 0.4906 0.1986 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4855 1.1318 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 0.0637 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3540 -1.3311 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0905 -1.8795 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3927 -1.5156 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9232 1.8569 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5226 1.4976 -1.1458 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