1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

nitrooxy(phenyl)mercury;phenylmercury;hydrate

2.1.2 InChI

InChI=1S/2C6H5.2Hg.NO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;;1H2/q;;;+1;-1;

2.1.3 InChI Key

ZAQDQFFQEKUULQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)[Hg].C1=CC=C(C=C1)[Hg]O[N+](=O)[O-].O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Nitrooxy(phenyl)mercury;phenylmercury;hydrate

2. Nitrate Phenyl Mercurique [french]

3. Mercury, Hydroxy(nitrato)diphenyldi-

4. Nitrate Phenyl Mercurique

5. Unii-w06k73cugi

6. Phenyl Mercuric Nitrate,basic

7. Phenylmercury(ii) Nitrate, Basic

8. Mercury Nitratophenyl-, Cmpd. With Hydroxyphenylmercury (1:1)

9. Mercury, Hydroxyphenyl-, Cmpd. With Nitratophenylmercury (1:1)

10. Nsc 2110

11. Mfcd00151098

12. Hydroxy(phenyl)mercury Compound With Nitrooxy(phenyl)mercury (1:1)

2.3 Create Date

2007-08-23

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂Hg₂NO₄
Molecular Weight	635.41 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	636.015603 g/mol
Monoisotopic Mass	638.01792 g/mol
Topological Polar Surface Area	56 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Phenylmercuric Nitrate, Basic