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
-2.8063 0.5743 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9352 -0.4057 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -0.2225 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 -1.3102 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7314 -1.1973 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3255 0.0245 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.1208 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1053 0.9984 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2204 0.2284 0.2604 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5308 1.6046 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8562 0.3550 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3130 -1.3991 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0880 -2.2788 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 -2.0480 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9137 2.0909 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5295 1.8647 0.2772 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