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Home > Nitro Compounds > 7357-16-6
7357-16-6 | Methanone,bis[4-hydroxy-3-(4-morpholinylmethyl)-5-nitrophenyl]-
CAS No: 7357-16-6 Catalog No: AG005COL MDL No:
Product Description
Catalog Number:
AG005COL
Chemical Name:
Methanone,bis[4-hydroxy-3-(4-morpholinylmethyl)-5-nitrophenyl]-
CAS Number:
7357-16-6
Molecular Formula:
C23H26N4O9
Molecular Weight:
502.4739
IUPAC Name:
bis[4-hydroxy-3-(morpholin-4-ylmethyl)-5-nitrophenyl]methanone
InChI:
InChI=1S/C23H26N4O9/c28-21(15-9-17(13-24-1-5-35-6-2-24)22(29)19(11-15)26(31)32)16-10-18(14-25-3-7-36-8-4-25)23(30)20(12-16)27(33)34/h9-12,29-30H,1-8,13-14H2
InChI Key:
MAHHOOXGHANFQR-UHFFFAOYSA-N
SMILES:
O=C(c1cc(CN2CCOCC2)c(c(c1)[N+](=O)[O-])O)c1cc(CN2CCOCC2)c(c(c1)[N+](=O)[O-])O
NSC Number:
51838
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.17g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
502.48g/mol
Monoisotopic Mass:
502.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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