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Home > Nitro Compounds > 74839-42-2
74839-42-2 | 5-(3-methoxypropylimino)-8-[2-(2-methyl-4-nitro-phenyl)hydrazinyl]naphthalen-1-one
CAS No: 74839-42-2 Catalog No: AG005SHV MDL No:
Product Description
Catalog Number:
AG005SHV
Chemical Name:
5-(3-methoxypropylimino)-8-[2-(2-methyl-4-nitro-phenyl)hydrazinyl]naphthalen-1-one
CAS Number:
74839-42-2
Molecular Formula:
C21H22N4O4
Molecular Weight:
394.4238
IUPAC Name:
5-(3-methoxypropylamino)-8-[(2-methyl-4-nitrophenyl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C21H22N4O4/c1-14-13-15(25(27)28)7-8-17(14)23-24-19-10-9-18(22-11-4-12-29-2)16-5-3-6-20(26)21(16)19/h3,5-10,13,22,26H,4,11-12H2,1-2H3
InChI Key:
WLOUFSLGZBXYCS-UHFFFAOYSA-N
SMILES:
COCCCN=C1C=CC(=C2C1=CC=CC2=O)NNc1ccc(cc1C)[N+](=O)[O-]
EC Number:
278-004-9
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.431g/mol
Monoisotopic Mass:
394.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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