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Home > Nitro Compounds > 26491-00-9
26491-00-9 | 4H-3,1-Benzoxazin-4-one, 1,2-dihydro-1-(methoxymethyl)-6-nitro-
CAS No: 26491-00-9 Catalog No: AG002TFQ MDL No:
Product Description
Catalog Number:
AG002TFQ
Chemical Name:
4H-3,1-Benzoxazin-4-one, 1,2-dihydro-1-(methoxymethyl)-6-nitro-
CAS Number:
26491-00-9
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
IUPAC Name:
1-(methoxymethyl)-6-nitro-2H-3,1-benzoxazin-4-one
InChI:
InChI=1S/C10H10N2O5/c1-16-5-11-6-17-10(13)8-4-7(12(14)15)2-3-9(8)11/h2-4H,5-6H2,1H3
InChI Key:
XZKKVYUMTJBZRL-UHFFFAOYSA-N
SMILES:
COCN1COC(=O)c2c1ccc(c2)[N+](=O)[O-]
NSC Number:
125366
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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