Home Aldehydes Benzaldehyde, 2-(cyclohexylthio)-5-nitro-

Benzaldehyde, 2-(cyclohexylthio)-5-nitro-

CAS No.:
175278-46-3
Catalog Number:
AG0020VB
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
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Product Description
Catalog Number:
AG0020VB
Chemical Name:
Benzaldehyde, 2-(cyclohexylthio)-5-nitro-
CAS Number:
175278-46-3
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD00084990
IUPAC Name:
2-cyclohexylsulfanyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C13H15NO3S/c15-9-10-8-11(14(16)17)6-7-13(10)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChI Key:
KKPVOEAECFNQNB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1SC1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties