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
2.7100 -0.8030 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9836 0.2656 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5241 0.1933 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1895 -0.9593 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 -1.0133 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5224 -2.6401 0.4535 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 0.1401 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5956 1.3059 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2249 1.3606 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 2.9825 -0.5342 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2162 0.1150 -0.0639 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2567 -1.7422 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8169 -0.7273 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.2049 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3166 -1.9023 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1853 2.2196 -0.4252 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