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
-2.4310 -1.3396 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7932 -0.3020 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4524 0.0144 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1691 1.1446 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4330 1.5577 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0917 0.7902 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5243 -0.3165 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2488 -0.7020 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4880 -1.3268 2.3539 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.9865 -1.9680 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4444 -1.5496 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2854 0.3156 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3684 1.7261 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8938 2.4384 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0886 1.0926 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1761 -1.5751 1.1322 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