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
-2.6701 0.7701 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9226 -0.2608 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4849 -0.1986 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2562 -1.3485 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6336 -1.3830 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 -0.2128 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5802 0.9396 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1973 0.9300 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5639 2.4820 0.8524 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7610 0.7042 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2474 1.7089 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4231 -1.1944 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2647 -2.2642 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2067 -2.2772 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3634 -0.2481 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2917 1.8530 0.5225 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