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Home > Nitro Compounds > 66777-94-4
66777-94-4 | BIS(4-NITROPHENYL) PHOSPHATE HYDRATE
CAS No: 66777-94-4 Catalog No: AG00FEVQ MDL No:
Product Description
Catalog Number:
AG00FEVQ
Chemical Name:
BIS(4-NITROPHENYL) PHOSPHATE HYDRATE
CAS Number:
66777-94-4
Molecular Formula:
C12H11N2O9P
Molecular Weight:
358.1975
IUPAC Name:
bis(4-nitrophenyl) hydrogen phosphate;hydrate
InChI:
InChI=1S/C12H9N2O8P.H2O/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);1H2
InChI Key:
AJCYEUQRBLMJDI-UHFFFAOYSA-N
SMILES:
OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-].O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.02g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.199g/mol
Monoisotopic Mass:
358.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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