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Home > Nitro Compounds > 645-15-8
645-15-8 | Bis(4-nitrophenyl) phosphate
CAS No: 645-15-8 Catalog No: AG003O9U MDL No:MFCD00007318
Product Description
Catalog Number:
AG003O9U
Chemical Name:
Bis(4-nitrophenyl) phosphate
CAS Number:
645-15-8
Molecular Formula:
C12H9N2O8P
Molecular Weight:
340.1822
MDL Number:
MFCD00007318
IUPAC Name:
bis(4-nitrophenyl) hydrogen phosphate
InChI:
InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
InChI Key:
MHSVUSZEHNVFKW-UHFFFAOYSA-N
SMILES:
O=N(=O)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)N(=O)=O)O
EC Number:
211-434-7
NSC Number:
59824
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.01g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.184g/mol
Monoisotopic Mass:
340.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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