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
   -2.3912   -1.2207    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113   -0.1129    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    0.0771    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330   -0.8543   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.6185   -1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -1.9845   -2.2940 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0333    0.5679   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.5138   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.2680    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    2.5717    1.6424 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    0.8707   -1.8356 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -2.0692    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421   -1.3144    1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.6527    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -1.7974   -0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894    2.4502    0.0324 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