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
2.8790 -0.1888 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8304 -0.6861 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4597 -0.2173 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5789 -1.1608 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8921 -0.7947 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2852 -2.0852 -0.5052 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 0.5086 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3026 1.4395 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0464 1.0697 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3740 2.4428 0.3108 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.1462 0.9889 -0.0163 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 0.6600 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8517 -0.6723 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0086 -1.5796 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 -2.1979 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 2.4731 0.2923 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