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
2.7969 0.2894 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8789 -0.6385 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4756 -0.3100 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0191 0.9886 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3379 1.2914 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2885 0.3014 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8385 -0.9977 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5022 -1.3005 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1559 0.7239 -0.2095 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6291 1.3497 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8470 -0.0639 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1518 -1.6823 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 1.8336 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6455 2.3264 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6018 -1.7903 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1406 -2.3212 -0.0791 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