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
2.7680 -0.4950 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8788 0.4426 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4680 0.1805 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0947 -1.0117 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4612 -1.1856 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3257 -0.1677 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7791 1.0525 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4198 1.1989 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9834 2.4770 -0.6673 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8457 -0.3028 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 -1.5033 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2511 1.4043 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5903 -1.8445 0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -2.1372 0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4113 -0.2590 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0378 2.1509 -0.6615 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