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5-nitro-2-(trifluoromethyl)-1,3-diazinane-4,6-dione

5-nitro-2-(trifluoromethyl)-1,3-diazinane-4,6-dione

CAS: 652-62-0

Formula: C5H4F3N3O4

SMILES: [O-][N+](=O)C1C(=O)NC(NC1=O)C(F)(F)F

IUPAC: 5-nitro-2-(trifluoromethyl)-1,3-diazinane-4,6-dione

InChI: InChI=1S/C5H4F3N3O4/c6-5(7,8)4-9-2(12)1(11(14)15)3(13)10-4/h1,4H,(H,9,12)(H,10,13)

Composition: C (26.44%), H (1.78%), F (25.10%), N (18.50%), O (28.18%)

Molar Mass: 227.099

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 227.01539011
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BBBCBNKODLVNJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.3
Topological Polar Surface Area 101.34
Polarizability 13.86
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 652-62-0 $202.14$202.14
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