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
2.7870 0.5929 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9412 -0.3722 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5038 -0.2114 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3041 -1.3014 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 -1.1949 -0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 0.0015 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5286 1.0945 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1391 0.9756 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2172 0.0962 -0.1426 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8627 0.4591 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4408 1.5841 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3543 -1.3398 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1852 -2.2233 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3119 -2.0397 -0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0290 2.0353 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4506 1.8435 0.4963 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