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854-04-6 | 1-(4-Methoxyphenyl)ethanone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone
CAS No: 854-04-6 Catalog No: AG004OFK MDL No:
Product Description
Catalog Number:
AG004OFK
Chemical Name:
1-(4-Methoxyphenyl)ethanone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone
CAS Number:
854-04-6
Molecular Formula:
C15H16N4O5--
Molecular Weight:
332.3113
IUPAC Name:
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2,4-dinitroaniline
InChI:
InChI=1S/C15H14N4O5/c1-10(11-3-6-13(24-2)7-4-11)16-17-14-8-5-12(18(20)21)9-15(14)19(22)23/h3-9,17H,1-2H3/b16-10-
InChI Key:
LGQWOKSOBNUYCG-YBEGLDIGSA-N
SMILES:
COc1ccc(cc1)C(=NNc1ccc(cc1N(O)[O-])N(O)[O-])C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
330.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.3g/mol
Monoisotopic Mass:
330.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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