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Home > Nitro Compounds > 331962-97-1
331962-97-1 | N-(3-Nitro-phenyl)-2-{4-[(4-nitro-phenyl)-hydrazonomethyl]-phenoxy}-acetamide
CAS No: 331962-97-1 Catalog No: AG01F47I MDL No:
Product Description
Catalog Number:
AG01F47I
Chemical Name:
N-(3-Nitro-phenyl)-2-{4-[(4-nitro-phenyl)-hydrazonomethyl]-phenoxy}-acetamide
CAS Number:
331962-97-1
Molecular Formula:
C21H17N5O6
Molecular Weight:
435.3896
IUPAC Name:
N-(3-nitrophenyl)-2-[4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide
InChI:
InChI=1S/C21H17N5O6/c27-21(23-17-2-1-3-19(12-17)26(30)31)14-32-20-10-4-15(5-11-20)13-22-24-16-6-8-18(9-7-16)25(28)29/h1-13,24H,14H2,(H,23,27)/b22-13+
InChI Key:
VODVXKQXYMGADN-LPYMAVHISA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])COc1ccc(cc1)/C=N/Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
435.118g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
435.396g/mol
Monoisotopic Mass:
435.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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