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
-2.8443 -0.0937 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8231 0.6987 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4339 0.2609 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -1.0466 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2706 -1.4272 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 -0.4939 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9086 0.8196 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 1.1943 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 2.0934 -0.1352 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 -1.1521 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8808 0.2374 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9886 1.7630 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 -1.7901 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4777 -2.4879 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -0.8164 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3793 2.2406 -0.2696 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