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
-2.8264 0.2486 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8723 -0.6545 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 -0.2772 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 -1.2791 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8584 -0.9982 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 0.3005 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3521 1.2880 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 1.0166 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 0.7458 -0.0437 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8875 -0.0502 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6235 1.2856 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 -1.6949 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1441 -2.2891 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 -1.7966 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6870 2.3143 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7277 1.8403 0.1010 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