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Home > Nitro Compounds > 88461-20-5
88461-20-5 | Quinoline, 5,6,7,8-tetrahydro-8-methyl-, compd. with 2,4,6-trinitrophenol(1:1)
CAS No: 88461-20-5 Catalog No: AG004DKF MDL No:
Product Description
Catalog Number:
AG004DKF
Chemical Name:
Quinoline, 5,6,7,8-tetrahydro-8-methyl-, compd. with 2,4,6-trinitrophenol(1:1)
CAS Number:
88461-20-5
Molecular Formula:
C16H16N4O7
Molecular Weight:
376.3208
IUPAC Name:
8-methyl-5,6,7,8-tetrahydroquinoline;2,4,6-trinitrophenol
InChI:
InChI=1S/C10H13N.C6H3N3O7/c1-8-4-2-5-9-6-3-7-11-10(8)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3,6-8H,2,4-5H2,1H3;1-2,10H
InChI Key:
JFTXERFYKWPLCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CC1CCCc2c1nccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.102g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.325g/mol
Monoisotopic Mass:
376.102g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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