Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
-2.8326 0.2944 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8946 -0.5650 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 -0.2534 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4685 -1.2279 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 -1.0129 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2661 0.2446 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3927 1.2444 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0289 0.9641 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1517 0.5347 0.0283 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8909 0.0457 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5528 1.2844 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2406 -1.5595 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -2.1809 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5317 -1.7833 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7758 2.2085 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 1.7619 0.6014 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers