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
2.7648 0.5243 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 -0.4658 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4479 -0.2745 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 -1.3756 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7607 -1.2304 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3532 0.0074 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 1.1013 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1323 0.9623 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2626 2.8466 0.4245 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 1.5480 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8166 0.3318 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 -1.4668 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0710 -2.3413 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4013 -2.1178 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 0.0979 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 1.8526 0.0598 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