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
2.9010 0.0586 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8559 -0.6763 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 -0.2483 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 -1.1588 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8422 -0.8490 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1409 -2.0984 -1.0902 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 0.3995 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3701 1.3161 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.9816 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 2.3048 1.1093 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1270 0.8982 -0.1802 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.8794 1.1061 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -0.4295 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9720 -1.7703 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 -2.1328 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7089 2.2987 0.6494 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