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
    1.9943   -1.9369   -0.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546   -0.7401   -0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -0.0990   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -0.6850    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681   -0.0447    1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3166   -0.9248    2.7041 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    1.2128    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501    1.8083   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164    1.1771   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    2.0455   -2.1418 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390    2.0728    1.7544 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8352   -2.3635   -1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263   -2.5009    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.1690   -1.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -1.6671    1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    2.8144   -0.4321 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