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
2.6665 0.8845 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9104 -0.0904 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 -0.1196 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2156 0.8627 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 0.7844 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5460 2.1319 -1.6123 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -0.2987 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5602 -1.2809 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 -1.2164 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -2.5762 1.6295 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1439 -0.4035 -0.3320 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 1.7232 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 0.8848 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 -0.8840 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3097 1.7190 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0919 -2.1209 0.9670 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