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
cid=

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
   -1.7081    0.7170   -2.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    0.0269   -1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435   -0.0568   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660   -0.2601    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3885   -0.3657    1.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.6414    3.8552 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7050   -0.2855    1.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254   -0.0891    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    0.0216   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562    0.2409   -2.5005 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1425   -0.4411    2.8295 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    0.6889   -2.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    1.3483   -2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -0.5671   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113   -0.3214    1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222   -0.0157   -0.1505 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