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Home > Nitro Compounds > 16625-30-2
16625-30-2 | Quinoline, 2-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 16625-30-2 Catalog No: AG001WLO MDL No:
Product Description
Catalog Number:
AG001WLO
Chemical Name:
Quinoline, 2-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
16625-30-2
Molecular Formula:
C16H12N4O7
Molecular Weight:
372.2891
IUPAC Name:
2-methylquinoline;2,4,6-trinitrophenol
InChI:
InChI=1S/C10H9N.C6H3N3O7/c1-8-6-7-9-4-2-3-5-10(9)11-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H
InChI Key:
GREXTIWNQFNRFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1ccc2c(n1)cccc2
NSC Number:
265378
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.071g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.293g/mol
Monoisotopic Mass:
372.071g/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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