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Home > Aldehydes > 114485-95-9
114485-95-9 | Benzaldehyde, 2-hydroxy-5-methyl-3-[[(4-nitrophenyl)imino]methyl]-
CAS No: 114485-95-9 Catalog No: AG000EIK MDL No:
Product Description
Catalog Number:
AG000EIK
Chemical Name:
Benzaldehyde, 2-hydroxy-5-methyl-3-[[(4-nitrophenyl)imino]methyl]-
CAS Number:
114485-95-9
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
IUPAC Name:
2-hydroxy-5-methyl-3-[(4-nitrophenyl)iminomethyl]benzaldehyde
InChI:
InChI=1S/C15H12N2O4/c1-10-6-11(15(19)12(7-10)9-18)8-16-13-2-4-14(5-3-13)17(20)21/h2-9,19H,1H3
InChI Key:
KETXGAQWZUVRPX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1O)C=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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