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
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
-2.8206 0.3297 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8519 -0.3174 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 -0.1557 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4688 -0.3019 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 -0.1782 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0347 -0.3747 -2.4817 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2695 0.0860 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4281 0.2309 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0435 0.1046 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1336 0.2582 2.5768 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1374 0.2522 0.5281 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8554 0.1064 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7189 1.0901 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1542 -1.0577 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0371 -0.5111 -2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7400 0.4385 2.3151 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