Monomers
Benzene, 1,2,4-tribromo-5-ethenyl-
Identifiers
IUPAC name
1,2,4-tribromo-5-ethenylbenzene
InchI
InChI=1S/C8H5Br3/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InchI Key
ZFYXTBYFHIVKEC-UHFFFAOYSA-N
SMILES
C=Cc1cc(Br)c(cc1Br)Br
Canonical SMILES
C=CC1=CC(=C(C=C1Br)Br)Br
Isomeric SMILES
C=CC1=CC(=C(C=C1Br)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H5Br3
Heavy Atom Count
11
Molecular Weight
340.84
Exact Molecular Weight
337.7941
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
4.6171
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
2.7655 -0.2391 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.5943 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.2378 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0287 -0.9585 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4058 -1.1930 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0867 -2.8542 -0.9380 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 -0.2756 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7549 0.9159 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4068 1.1814 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2683 2.8485 1.1751 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1652 -0.6117 0.2891 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5069 -1.2059 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8152 0.0519 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2196 1.5569 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6264 -1.7183 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4339 1.6695 1.0303 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 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
7 11 1 0
9 3 1 0
1 12 1 0
1 13 1 0
2 14 1 0
4 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers