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114427-46-2 | Hydroxylamine-O-sulfonic acid, N-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydro-4(1H)-quinolinylidene]-, potassium salt (9CI)
CAS No: 114427-46-2 Catalog No: AG000BB0 MDL No:
Product Description
Catalog Number:
AG000BB0
Chemical Name:
Hydroxylamine-O-sulfonic acid, N-[1-(2-bromobenzoyl)-7-chloro-2,3-dihydro-4(1H)-quinolinylidene]-, potassium salt (9CI)
CAS Number:
114427-46-2
Molecular Formula:
C16H11BrClKN2O5S
Molecular Weight:
497.7892
IUPAC Name:
potassium;[[1-(2-bromobenzoyl)-7-chloro-2,3-dihydroquinolin-4-ylidene]amino] sulfate
InChI:
InChI=1S/C16H12BrClN2O5S.K/c17-13-4-2-1-3-11(13)16(21)20-8-7-14(19-25-26(22,23)24)12-6-5-10(18)9-15(12)20;/h1-6,9H,7-8H2,(H,22,23,24);/q;+1/p-1
InChI Key:
TYNWENYITKYVDY-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)N(CCC2=NOS(=O)(=O)[O-])C(=O)c1ccccc1Br.[K+]
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.89g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.785g/mol
Monoisotopic Mass:
495.89g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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