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Home > Nitro Compounds > 64269-43-8
64269-43-8 | Pyrimidine, 5-nitro-2-(1-piperidinyl)-
CAS No: 64269-43-8 Catalog No: AG00IBCE MDL No:MFCD00697482
Product Description
Catalog Number:
AG00IBCE
Chemical Name:
Pyrimidine, 5-nitro-2-(1-piperidinyl)-
CAS Number:
64269-43-8
Molecular Formula:
C9H12N4O2
Molecular Weight:
208.2172
MDL Number:
MFCD00697482
IUPAC Name:
5-nitro-2-piperidin-1-ylpyrimidine
InChI:
InChI=1S/C9H12N4O2/c14-13(15)8-6-10-9(11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2
InChI Key:
BHMJEQQVWJLRFP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(nc1)N1CCCCC1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.221g/mol
Monoisotopic Mass:
208.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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