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Home Nitro Compounds 1002726-59-1
1002726-59-1,MFCD10000811
Catalog No.:AA0001CP
1002726-59-1 | 2,2-Dimethyl-6-nitro-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
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1g
95%
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$200.00   $140.00
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Technical Information
Catalog Number:
AA0001CP
Chemical Name:
2,2-Dimethyl-6-nitro-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
CAS Number:
1002726-59-1
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
MDL Number:
MFCD10000811
IUPAC Name:
2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13)
InChI Key:
QPNDHHGIJAMRMD-UHFFFAOYSA-N
SMILES:
O=C1Nc2nc(ccc2OC1(C)C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
1002726-59-1 
2,2-dimethyl-6-nitro-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one 
ZINC38540286 
AKOS015842133 
AB55955 
ACN-049034 
SS-4558 
AJ-96365 
AK102002 
EN000037 
OR303183 
SC-35836 
2,2-DIMETHYL-6-NITRO-2H,3H,4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE 
SY111675 
AX8233541 
TC-070844 
FT-0083689 
FT-0651540 
MFCD10000811 (95%) 
2,2-DIMETHYL-6-NITRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-3 
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-dimethyl-6-nitro- 
C9H9N3O4 
CTK8B9406 
DTXSID70670350 
BCP18695 
ZX-RL000675 
0138AA 
ANW-62468 
MFCD10000811 
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