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
-2.2323 1.2447 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3108 0.3221 1.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3039 0.0326 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 0.6648 -1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8029 0.3385 -2.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7152 -0.6403 -1.7547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -1.2900 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 -0.9632 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6610 -0.1061 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.9757 1.4215 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 1.8339 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3333 -0.2355 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9144 1.4445 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8465 0.8645 -2.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5095 -0.9168 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 -1.4603 1.3243 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