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
2.8129 -0.0706 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7440 -0.8047 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4205 -0.2693 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1462 1.0177 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1597 1.4764 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2312 0.6361 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9721 -0.6609 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6972 -1.1166 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4147 -1.8983 0.2856 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 0.9566 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8226 -0.4856 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8738 -1.8503 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9799 1.7164 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3181 2.4979 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 0.9884 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4862 -2.1334 0.5664 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