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85223-02-5 | 5-CHLORO-2-METHYLBENZENEDIAZONIUM NAPHTHALENE-1,5-DISULFONATE
CAS No: 85223-02-5 Catalog No: AG004VY8 MDL No:
Product Description
Catalog Number:
AG004VY8
Chemical Name:
5-CHLORO-2-METHYLBENZENEDIAZONIUM NAPHTHALENE-1,5-DISULFONATE
CAS Number:
85223-02-5
Molecular Formula:
C24H18Cl2N4O6S2
Molecular Weight:
593.4589
IUPAC Name:
5-chloro-2-methylbenzenediazonium;naphthalene-1,5-disulfonate
InChI:
InChI=1S/C10H8O6S2.2C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2
InChI Key:
RKYOJPJSEVANLF-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].N#[N+]c1cc(Cl)ccc1C.N#[N+]c1cc(Cl)ccc1C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.004g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.45g/mol
Monoisotopic Mass:
592.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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