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
2.8192 -0.4396 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9114 0.4576 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4777 0.2340 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 -0.9667 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4488 -1.1188 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1423 -2.8020 -1.0196 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3172 -0.1113 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7919 1.0827 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4160 1.2350 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 2.9134 0.9942 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1887 -0.4173 -0.2840 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 -1.4445 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8612 -0.1730 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 1.4311 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6099 -1.7742 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4430 1.8937 0.5562 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