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
2.6868 0.8505 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9532 -0.2424 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -0.2527 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2248 -1.4352 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6017 -1.4305 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -0.2499 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6237 0.9452 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2480 0.9047 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 2.5770 -0.1435 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2632 1.8428 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7761 0.8016 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 -1.2003 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3111 -2.3667 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1769 -2.3683 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4103 -0.2623 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 1.8864 -0.0797 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