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Home > Nitro Compounds > 86434-16-4
86434-16-4 | 2,4-dinitrophenol- 1,2,3,4-tetrahydroquinoline(1:1)
CAS No: 86434-16-4 Catalog No: AG004XAK MDL No:
Product Description
Catalog Number:
AG004XAK
Chemical Name:
2,4-dinitrophenol- 1,2,3,4-tetrahydroquinoline(1:1)
CAS Number:
86434-16-4
Molecular Formula:
C15H15N3O5
Molecular Weight:
317.2967
IUPAC Name:
2,4-dinitrophenol;1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C9H11N.C6H4N2O5/c1-2-6-9-8(4-1)5-3-7-10-9;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-2,4,6,10H,3,5,7H2;1-3,9H
InChI Key:
CZHNXXZQDWNZJC-UHFFFAOYSA-N
SMILES:
C1CCc2c(N1)cccc2.[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O
NSC Number:
32706
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.301g/mol
Monoisotopic Mass:
317.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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