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Home > Aldehydes > 175278-47-4
175278-47-4 | Benzaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro-
CAS No: 175278-47-4 Catalog No: AG0020VA MDL No:MFCD00084918
Product Description
Catalog Number:
AG0020VA
Chemical Name:
Benzaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-5-nitro-
CAS Number:
175278-47-4
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
MDL Number:
MFCD00084918
IUPAC Name:
2-(4-tert-butylphenoxy)-5-nitrobenzaldehyde
InChI:
InChI=1S/C17H17NO4/c1-17(2,3)13-4-7-15(8-5-13)22-16-9-6-14(18(20)21)10-12(16)11-19/h4-11H,1-3H3
InChI Key:
YOWJMFSAQPDRJB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Oc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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