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Home > Nitro Compounds > 7145-10-0
7145-10-0 | 2,4,6-trinitrophenol- 1-(propan-2-yl)piperidine(1:1)
CAS No: 7145-10-0 Catalog No: AG005UFC MDL No:
Product Description
Catalog Number:
AG005UFC
Chemical Name:
2,4,6-trinitrophenol- 1-(propan-2-yl)piperidine(1:1)
CAS Number:
7145-10-0
Molecular Formula:
C14H20N4O7
Molecular Weight:
356.3312
IUPAC Name:
1-propan-2-ylpiperidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C8H17N.C6H3N3O7/c1-8(2)9-6-4-3-5-7-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8H,3-7H2,1-2H3;1-2,10H
InChI Key:
QPBFKSVGJWACAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CC(N1CCCCC1)C
NSC Number:
56150
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.335g/mol
Monoisotopic Mass:
356.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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