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50961-54-1 | 4-(4-Nitrophenoxy)benzaldehyde
CAS No: 50961-54-1 Catalog No: AG003K4R MDL No:MFCD00017041
Product Description
Catalog Number:
AG003K4R
Chemical Name:
4-(4-Nitrophenoxy)benzaldehyde
CAS Number:
50961-54-1
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD00017041
IUPAC Name:
4-(4-nitrophenoxy)benzaldehyde
InChI:
InChI=1S/C13H9NO4/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-9H
InChI Key:
OCHOSUFDGPHRJA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
286
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:
3.1
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