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84530-53-0 | 3,7-dinitro-5h-benzo[b]phosphindol-5-ol 5-oxide
CAS No: 84530-53-0 Catalog No: AG0053WQ MDL No:
Product Description
Catalog Number:
AG0053WQ
Chemical Name:
3,7-dinitro-5h-benzo[b]phosphindol-5-ol 5-oxide
CAS Number:
84530-53-0
Molecular Formula:
C12H7N2O6P
Molecular Weight:
306.1675
IUPAC Name:
5-hydroxy-3,7-dinitrobenzo[b]phosphindole 5-oxide
InChI:
InChI=1S/C12H7N2O6P/c15-13(16)7-1-3-9-10-4-2-8(14(17)18)6-12(10)21(19,20)11(9)5-7/h1-6H,(H,19,20)
InChI Key:
JHWXDQCGZHYTKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)P(=O)(O)c1c2ccc(c1)[N+](=O)[O-]
NSC Number:
129486
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.004g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.17g/mol
Monoisotopic Mass:
306.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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