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
2.6872 0.8576 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9430 -0.2148 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4993 -0.1990 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2181 -1.4014 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 -1.4487 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -0.2909 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6481 0.9001 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 0.9502 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6258 2.5167 0.2132 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2317 1.8268 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7565 0.8018 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.1795 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 -2.3130 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1120 -2.4049 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4088 -0.3248 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 1.9238 -0.0361 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