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82498-00-8 | 3-(anilinomethyl)benzooxazol-2-one, nickel(+2) cation, dithiocyanate
CAS No: 82498-00-8 Catalog No: AG00GC52 MDL No:
Product Description
Catalog Number:
AG00GC52
Chemical Name:
3-(anilinomethyl)benzooxazol-2-one, nickel(+2) cation, dithiocyanate
CAS Number:
82498-00-8
IUPAC Name:
3-(anilinomethyl)-1,3-benzoxazol-2-one;nickel(2+);dithiocyanate
InChI:
InChI=1S/2C14H12N2O2.2CHNS.Ni/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;2*2-1-3;/h2*1-9,15H,10H2;2*3H;/q;;;;+2/p-2
InChI Key:
YOPJUOZARGGJJZ-UHFFFAOYSA-L
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.065g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
655.373g/mol
Monoisotopic Mass:
654.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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