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85631-92-1 | SODIUM 5-CHLORO-2-METHOXYPHENYL-N-NITROSOAMIDE
CAS No: 85631-92-1 Catalog No: AG004TNF MDL No:
Product Description
Catalog Number:
AG004TNF
Chemical Name:
SODIUM 5-CHLORO-2-METHOXYPHENYL-N-NITROSOAMIDE
CAS Number:
85631-92-1
Molecular Formula:
C7H6ClN2NaO2
Molecular Weight:
208.5775
IUPAC Name:
sodium;(5-chloro-2-methoxyphenyl)-nitrosoazanide
InChI:
InChI=1S/C7H7ClN2O2.Na/c1-12-7-3-2-5(8)4-6(7)9-10-11;/h2-4H,1H3,(H,9,11);/q;+1/p-1
InChI Key:
DVOYCPJKYTWBFN-UHFFFAOYSA-M
SMILES:
[N-](c1cc(Cl)ccc1OC)N=O.[Na+]
EC Number:
288-042-8
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.577g/mol
Monoisotopic Mass:
208.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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