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204130-60-9 | Benzaldehyde, 5-nitro-2-(phenylmethoxy)-
CAS No: 204130-60-9 Catalog No: AG0029AD MDL No:
Product Description
Catalog Number:
AG0029AD
Chemical Name:
Benzaldehyde, 5-nitro-2-(phenylmethoxy)-
CAS Number:
204130-60-9
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
5-nitro-2-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H11NO4/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
XSMKSIYWHANRKS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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