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794-65-0 | Benzaldehyde, 4-(2,4-dinitrophenoxy)-
CAS No: 794-65-0 Catalog No: AG0058LE MDL No:MFCD00579130
Product Description
Catalog Number:
AG0058LE
Chemical Name:
Benzaldehyde, 4-(2,4-dinitrophenoxy)-
CAS Number:
794-65-0
Molecular Formula:
C13H8N2O6
Molecular Weight:
288.2124
MDL Number:
MFCD00579130
IUPAC Name:
4-(2,4-dinitrophenoxy)benzaldehyde
InChI:
InChI=1S/C13H8N2O6/c16-8-9-1-4-11(5-2-9)21-13-6-3-10(14(17)18)7-12(13)15(19)20/h1-8H
InChI Key:
AXTMBFKLHOZCDO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
233873
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.215g/mol
Monoisotopic Mass:
288.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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