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
2.5504 1.0094 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 -0.1329 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 -0.1749 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1402 -1.4233 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4804 -1.5330 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2391 -0.3973 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6481 0.8410 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 0.9151 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6490 2.4324 0.6604 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.0454 1.9302 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6067 1.0271 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4975 -1.0580 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4371 -2.3201 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 -2.5063 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3134 -0.5118 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1522 1.9023 0.0644 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