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
   -2.7981   -0.3716    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272   -0.6476   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -0.1849   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5409   -1.0298   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633   -0.6729   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343   -1.8383   -1.2229 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2309    0.5429   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    1.3622    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998    1.0202    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746    2.3121    1.0281 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0851    1.0230    0.0062 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.2335    1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7983   -0.7899    0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339   -1.2884   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -1.9966   -1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    2.3259    0.8244 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