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Home > Aldehydes > 175278-54-3
175278-54-3 | Benzaldehyde, 5-nitro-2-(2-pyridinylthio)-
CAS No: 175278-54-3 Catalog No: AG0020V3 MDL No:MFCD00171607
Product Description
Catalog Number:
AG0020V3
Chemical Name:
Benzaldehyde, 5-nitro-2-(2-pyridinylthio)-
CAS Number:
175278-54-3
Molecular Formula:
C12H8N2O3S
Molecular Weight:
260.2685
MDL Number:
MFCD00171607
IUPAC Name:
5-nitro-2-pyridin-2-ylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H8N2O3S/c15-8-9-7-10(14(16)17)4-5-11(9)18-12-3-1-2-6-13-12/h1-8H
InChI Key:
DYCDKUHKWVDHJU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Sc1ccccn1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.267g/mol
Monoisotopic Mass:
260.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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