Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
-2.8378 -0.2626 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8783 0.6275 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 0.3197 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.9921 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -1.3094 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2724 -0.3140 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 1.0128 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5097 1.3074 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1344 -0.7275 0.3490 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6272 -1.3128 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8695 0.0696 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1316 1.7044 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7072 -1.8446 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6444 -2.3634 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6285 1.7556 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 2.3294 0.2412 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers