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Home > Nitro Compounds > 88500-05-4
88500-05-4 | Quinoline, 3,4,6,7-tetramethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 88500-05-4 Catalog No: AG0049GG MDL No:
Product Description
Catalog Number:
AG0049GG
Chemical Name:
Quinoline, 3,4,6,7-tetramethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
88500-05-4
Molecular Formula:
C19H18N4O7
Molecular Weight:
414.3688
IUPAC Name:
3,4,6,7-tetramethylquinoline;2,4,6-trinitrophenol
InChI:
InChI=1S/C13H15N.C6H3N3O7/c1-8-5-12-11(4)10(3)7-14-13(12)6-9(8)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7H,1-4H3;1-2,10H
InChI Key:
WPERFPVJCLCJDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1cc2ncc(c(c2cc1C)C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.118g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.374g/mol
Monoisotopic Mass:
414.118g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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