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Home > Nitro Compounds > 94464-68-3
94464-68-3 | 1-[4-(benzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine
CAS No: 94464-68-3 Catalog No: AG00H7HU MDL No:
Product Description
Catalog Number:
AG00H7HU
Chemical Name:
1-[4-(benzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine
CAS Number:
94464-68-3
Molecular Formula:
C20H16N4O5
Molecular Weight:
392.3648
IUPAC Name:
2,4-dinitro-N-[(4-phenylmethoxyphenyl)methylideneamino]aniline
InChI:
InChI=1S/C20H16N4O5/c25-23(26)17-8-11-19(20(12-17)24(27)28)22-21-13-15-6-9-18(10-7-15)29-14-16-4-2-1-3-5-16/h1-13,22H,14H2
InChI Key:
DRVAVULXJDZMDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=Cc1ccc(cc1)OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.112g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.371g/mol
Monoisotopic Mass:
392.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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