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Home > Nitro Compounds > 76289-30-0
76289-30-0 | 7-[(8-hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol
CAS No: 76289-30-0 Catalog No: AG005EIK MDL No:
Product Description
Catalog Number:
AG005EIK
Chemical Name:
7-[(8-hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol
CAS Number:
76289-30-0
Molecular Formula:
C19H12N4O6
Molecular Weight:
392.3218
IUPAC Name:
7-[(8-hydroxy-5-nitroquinolin-7-yl)methyl]-5-nitroquinolin-8-ol
InChI:
InChI=1S/C19H12N4O6/c24-18-10(8-14(22(26)27)12-3-1-5-20-16(12)18)7-11-9-15(23(28)29)13-4-2-6-21-17(13)19(11)25/h1-6,8-9,24-25H,7H2
InChI Key:
IDLYRQLIMDZRHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cc2cc([N+](=O)[O-])c3c(c2O)nccc3)c(c2c1cccn2)O
NSC Number:
130796
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.076g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.327g/mol
Monoisotopic Mass:
392.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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