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
-2.8187 -0.1570 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 -0.5913 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 -0.1980 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5445 -1.1616 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8778 -0.8633 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2381 -2.1615 -0.7151 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2290 0.4262 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3187 1.4010 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0450 1.0564 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3201 2.4347 0.5070 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.0898 0.8409 0.0746 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7229 0.5613 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8412 -0.5125 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 -1.3386 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -2.1639 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6062 2.4269 0.5264 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