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
-2.7739 0.4623 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8399 -0.4405 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4549 -0.1426 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0387 1.0716 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 1.2150 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2919 0.1676 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8044 -1.0566 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4442 -1.1957 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0115 -2.5141 0.4494 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5149 1.4566 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8268 0.2114 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1989 -1.4339 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 1.8837 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7744 2.2008 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3597 0.2958 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0843 -2.1814 0.6002 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