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
2.7990 0.4354 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 -0.3471 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5011 -0.1775 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3390 -1.0520 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7129 -0.9446 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 0.0494 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5012 0.9188 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1110 0.8063 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2302 0.2068 0.0461 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4441 1.2397 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8534 0.2784 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3731 -1.1578 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 -1.8373 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3615 -1.6364 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9828 1.7015 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4852 1.5163 1.1649 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