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
-2.2803 -1.5498 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 -0.4219 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 -0.0159 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4836 -0.7557 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8022 -0.3125 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2525 -1.3418 1.0342 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1117 0.8790 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0804 1.6353 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2043 1.1912 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6522 2.2314 -1.3587 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.9271 1.4742 -0.4151 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.5721 -2.2270 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3252 -1.8823 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7285 0.1994 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3252 -1.6939 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2976 2.5901 -1.2680 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