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
-2.8308 0.0533 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 -0.7123 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4250 -0.2568 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 1.0624 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2550 1.4633 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2608 0.5481 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9149 -0.7865 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6075 -1.1859 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -2.1015 -0.4561 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6904 1.1160 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8390 -0.3060 0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9896 -1.7969 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 1.8043 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4830 2.5160 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3023 0.8125 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 -2.2302 -0.0757 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