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
2.8340 0.3107 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 -0.4740 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 -0.2292 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0560 0.8590 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4173 1.0855 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0647 2.6466 -1.5253 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2793 0.1638 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7995 -0.9379 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 -1.1284 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2425 -2.6642 1.5657 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1495 0.5080 -0.2309 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5636 1.2136 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8839 0.0814 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2376 -1.3781 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5951 1.5761 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5110 -1.6329 1.0035 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