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
-2.7685 -0.6408 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9169 0.3485 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 0.1594 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1550 -1.0298 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5352 -1.1658 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3261 -0.0558 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7147 1.1696 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3437 1.2757 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 2.7043 -0.4097 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3932 -1.6329 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8406 -0.5222 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 1.3315 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -1.9242 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9898 -2.1307 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -0.1376 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1131 2.2508 -0.3400 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