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
2.6625 0.4816 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9240 -0.3304 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 -0.1956 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2218 -1.1104 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -1.0542 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 -0.0587 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 0.8652 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 0.7837 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 2.2695 1.2461 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2252 1.3031 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7439 0.3726 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 -1.1488 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3458 -1.8986 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1311 -1.7709 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3860 -0.0236 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2737 1.5157 1.1365 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