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Home > Aldehydes > 270262-95-8
270262-95-8 | 4-(CYCLOHEXYLTHIO)-3-NITROBENZALDEHYDE
CAS No: 270262-95-8 Catalog No: AG00BDP9 MDL No:MFCD00098772
Product Description
Catalog Number:
AG00BDP9
Chemical Name:
4-(CYCLOHEXYLTHIO)-3-NITROBENZALDEHYDE
CAS Number:
270262-95-8
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD00098772
IUPAC Name:
4-cyclohexylsulfanyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C13H15NO3S/c15-9-10-6-7-13(12(8-10)14(16)17)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChI Key:
SXIMCYMJTYWOMN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])SC1CCCCC1
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
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