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
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
-2.7222 0.8337 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9542 -0.1993 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5019 -0.1670 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1871 0.9583 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5661 0.9477 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 2.5154 0.9471 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2586 -0.2073 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5988 -1.3365 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2237 -1.3159 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 -2.9075 -0.9309 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1644 -0.1532 0.2612 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3063 1.7749 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 0.7424 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 -1.1442 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3097 1.8695 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1941 -2.2111 -0.5091 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