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Home > Nitro Compounds > 767291-19-0
767291-19-0 | 2-Pentanone, 5-nitro-4-(3-nitrophenyl)-, (4R)-
CAS No: 767291-19-0 Catalog No: AG005AC2 MDL No:
Product Description
Catalog Number:
AG005AC2
Chemical Name:
2-Pentanone, 5-nitro-4-(3-nitrophenyl)-, (4R)-
CAS Number:
767291-19-0
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
(4R)-5-nitro-4-(3-nitrophenyl)pentan-2-one
InChI:
InChI=1S/C11H12N2O5/c1-8(14)5-10(7-12(15)16)9-3-2-4-11(6-9)13(17)18/h2-4,6,10H,5,7H2,1H3/t10-/m0/s1
InChI Key:
NLLDYVBVBVQUIJ-JTQLQIEISA-N
SMILES:
CC(=O)C[C@H](c1cccc(c1)[N+](=O)[O-])C[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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