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Home > Aldehydes > 155534-53-5
155534-53-5 | Benzaldehyde, 5-nitro-2-[(phenylsulfonyl)methyl]-
CAS No: 155534-53-5 Catalog No: AG001NZ3 MDL No:
Product Description
Catalog Number:
AG001NZ3
Chemical Name:
Benzaldehyde, 5-nitro-2-[(phenylsulfonyl)methyl]-
CAS Number:
155534-53-5
Molecular Formula:
C14H11NO5S
Molecular Weight:
305.3058
IUPAC Name:
2-(benzenesulfonylmethyl)-5-nitrobenzaldehyde
InChI:
InChI=1S/C14H11NO5S/c16-9-12-8-13(15(17)18)7-6-11(12)10-21(19,20)14-4-2-1-3-5-14/h1-9H,10H2
InChI Key:
OWQJSRUZDKLDPT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.304g/mol
Monoisotopic Mass:
305.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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