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
-2.6325 0.8041 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9162 -0.2769 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4724 -0.2613 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -1.4286 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 -1.4162 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3166 -0.2298 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5847 0.9247 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 0.9371 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4650 2.6258 0.1426 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7411 0.7692 0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2742 1.8185 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4140 -1.2267 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2779 -2.3666 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2005 -2.3544 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3937 -0.2038 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3246 1.8849 0.1344 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