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Home > Nitro Compounds > 139175-22-7
139175-22-7 | [1,4]Benzoxazino[3,2-b][1,4]benzoxazine, 6,12-dihydro-3,9-dinitro-
CAS No: 139175-22-7 Catalog No: AG001AG5 MDL No:
Product Description
Catalog Number:
AG001AG5
Chemical Name:
[1,4]Benzoxazino[3,2-b][1,4]benzoxazine, 6,12-dihydro-3,9-dinitro-
CAS Number:
139175-22-7
Molecular Formula:
C14H8N4O6
Molecular Weight:
328.2365
IUPAC Name:
3,9-dinitro-6,12-dihydro-[1,4]benzoxazino[3,2-b][1,4]benzoxazine
InChI:
InChI=1S/C14H8N4O6/c19-17(20)7-1-3-9-11(5-7)23-14-13(15-9)24-12-6-8(18(21)22)2-4-10(12)16-14/h1-6,15-16H
InChI Key:
XJTPKSVZLCRMSA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)oc1=c([nH]2)oc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.044g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.24g/mol
Monoisotopic Mass:
328.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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