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
-2.7042 0.4422 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 -0.5297 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 -0.2852 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 -1.3888 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7650 -1.1961 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2887 0.0846 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 1.1608 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0730 0.9873 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1673 2.9049 -0.4403 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7710 0.2069 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4256 1.4832 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -1.5519 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 -2.3945 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4192 -2.0607 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3446 0.2530 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 1.8840 0.0231 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