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148776-17-4 | Benzaldehyde, 3-nitro-4-phenoxy-
CAS No: 148776-17-4 Catalog No: AG001L6H MDL No:
Product Description
Catalog Number:
AG001L6H
Chemical Name:
Benzaldehyde, 3-nitro-4-phenoxy-
CAS Number:
148776-17-4
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
3-nitro-4-phenoxybenzaldehyde
InChI:
InChI=1S/C13H9NO4/c15-9-10-6-7-13(12(8-10)14(16)17)18-11-4-2-1-3-5-11/h1-9H
InChI Key:
ZZFNVYAEMXUDOC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])Oc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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