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Home > Nitro Compounds > 67263-27-8
67263-27-8 | 1,3,5-Trinitro-2-piperidinobenzene
CAS No: 67263-27-8 Catalog No: AG00FYCE MDL No:
Product Description
Catalog Number:
AG00FYCE
Chemical Name:
1,3,5-Trinitro-2-piperidinobenzene
CAS Number:
67263-27-8
IUPAC Name:
1-(2,4,6-trinitrophenyl)piperidine
InChI:
InChI=1S/C11H12N4O6/c16-13(17)8-6-9(14(18)19)11(10(7-8)15(20)21)12-4-2-1-3-5-12/h6-7H,1-5H2
InChI Key:
PELVDFPFGQPDGS-UHFFFAOYSA-N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.239g/mol
Monoisotopic Mass:
296.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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