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
2.7577 0.5415 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -0.1737 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4825 -0.0854 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -1.2859 -0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6119 -1.2865 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5939 -2.9341 -0.3165 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2819 -0.1063 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5999 1.0720 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2209 1.0597 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 2.7229 0.1795 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1801 -0.1375 0.2526 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4798 1.2589 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8341 0.4280 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3532 -0.8773 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3099 -2.1945 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1156 1.9983 0.3873 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