Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
2.6976 0.7139 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 -0.2975 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4821 -0.2404 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -1.3491 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6468 -1.2889 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3285 -0.1693 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5891 0.9243 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2020 0.8838 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5242 2.4964 0.8950 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7867 0.6581 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 1.6623 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4243 -1.2050 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2784 -2.2277 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2153 -2.1837 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4267 -0.1659 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 1.7888 0.6283 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers