Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
2.8070 -0.4016 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 0.5199 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4515 0.2268 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -1.0597 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3827 -1.3192 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 -0.2737 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 1.0192 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4813 1.2381 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0972 2.4544 -0.1239 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8360 -0.0923 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 -1.4542 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1606 1.5752 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6313 -1.9030 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -2.3378 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3527 -0.4630 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1476 2.2710 0.0048 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers