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Home > Aldehydes > 175278-42-9
175278-42-9 | Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro-
CAS No: 175278-42-9 Catalog No: AG0020U4 MDL No:MFCD00173708
Product Description
Catalog Number:
AG0020U4
Chemical Name:
Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro-
CAS Number:
175278-42-9
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
MDL Number:
MFCD00173708
IUPAC Name:
2-(4-methylphenyl)sulfanyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C14H11NO3S/c1-10-2-5-13(6-3-10)19-14-7-4-12(15(17)18)8-11(14)9-16/h2-9H,1H3
InChI Key:
UTYFHCKVUPSOLA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Sc1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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