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
-2.4446 0.7487 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9503 0.1715 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 -0.0203 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 -0.6499 1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2247 -0.8470 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 -0.4513 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7962 0.1664 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 0.3831 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1320 0.7365 -1.7549 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 0.8907 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 1.1096 -1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6282 -0.1891 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8596 -0.9771 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5659 -1.3342 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2690 -0.6098 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 0.8720 -1.7095 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