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22955-07-3 | Benzaldehyde, 3-nitro-4-(phenylmethoxy)-
CAS No: 22955-07-3 Catalog No: AG002LO8 MDL No:
Product Description
Catalog Number:
AG002LO8
Chemical Name:
Benzaldehyde, 3-nitro-4-(phenylmethoxy)-
CAS Number:
22955-07-3
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
3-nitro-4-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H11NO4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
VJANVDWJMIGNFW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1
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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