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
2.7640 0.4540 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8582 -0.4885 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4234 -0.2742 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4174 -1.3675 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7821 -1.2264 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 0.0471 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4848 1.1393 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 1.0069 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2193 2.8874 -0.1987 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7975 0.1956 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 1.4818 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 -1.5155 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0242 -2.3408 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4139 -2.0887 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3622 0.2139 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5328 1.8757 0.0563 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