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6962-60-3 | 9,10-dioxo-9,10-dihydroanthracene-1-diazonium zinc chloride(1:1:3)
CAS No: 6962-60-3 Catalog No: AG005JYG MDL No:
Product Description
Catalog Number:
AG005JYG
Chemical Name:
9,10-dioxo-9,10-dihydroanthracene-1-diazonium zinc chloride(1:1:3)
CAS Number:
6962-60-3
Molecular Formula:
C14H7Cl3N2O2Zn
Molecular Weight:
406.9566
IUPAC Name:
methyl 2-benzylbenzoate
InChI:
InChI=1S/C15H14O2/c1-17-15(16)14-10-6-5-9-13(14)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
JQEYKLVXTVKZRE-UHFFFAOYSA-N
SMILES:
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.[Cl-].[Cl-].[Cl-].[Zn+2]
NSC Number:
37434
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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