Название: 4-chloro-2-dodecylsulfanyl-1-nitrobenzene
SMILES:
CCCCCCCCCCCCSC1=C(C=CC(=C1)Cl)[N+](=O)[O-]Molecular Processing
Molecular formula
C18H28ClNO2S
Molecular weight
357.95
Exact mass
357.1529
XLogP
7.26
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
13
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
100.67
Supplementary Information
InChIKey: MEDGNYPTSLSSSW-UHFFFAOYSA-N
Синонимы
SCHEMBL7746689MEDGNYPTSLSSSW-UHFFFAOYSA-N2-n-dodecylthio-4 -chloronitrobenzene
Участвует в 1 реакциях→