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
-2.8778 -0.1206 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7073 -0.5930 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4065 -0.1824 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -1.1216 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 -0.8337 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3314 -2.1132 -0.0963 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2117 0.4203 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2056 1.3409 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0977 1.0515 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 2.4273 -0.3151 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 0.8127 -1.2423 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7750 -0.5603 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 0.6530 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7448 -1.4173 1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -2.1029 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4144 2.3394 -1.0735 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