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
2.7837 -0.2727 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 -0.4607 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 -0.1355 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4912 -0.9777 -0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8328 -0.7343 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1550 -1.8580 -1.4263 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2534 0.3805 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 1.2133 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0640 0.9680 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2860 2.2029 1.2778 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1298 0.7472 0.2068 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 0.1438 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8247 -0.5462 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1019 -0.8925 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2024 -1.8711 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 2.0929 1.1591 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