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
2.6053 0.9621 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9640 -0.1209 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 -0.1427 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2898 0.9533 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6554 0.8768 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7599 2.4189 0.0777 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2547 -0.3037 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4399 -1.4096 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -1.3352 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0052 -2.8923 -0.4977 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1331 -0.4118 -0.8251 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1034 1.9066 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6727 0.9470 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5308 -1.0355 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1381 1.9223 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9312 -2.3351 -0.8855 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