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84963-38-2 | Benzenesulfonic acid,2-(acetylamino)-5-chloro-, sodium salt (1:1)
CAS No: 84963-38-2 Catalog No: AG004UTA MDL No:
Product Description
Catalog Number:
AG004UTA
Chemical Name:
Benzenesulfonic acid,2-(acetylamino)-5-chloro-, sodium salt (1:1)
CAS Number:
84963-38-2
Molecular Formula:
C8H7ClNNaO4S
Molecular Weight:
271.6533
IUPAC Name:
sodium;2-acetamido-5-chlorobenzenesulfonate
InChI:
InChI=1S/C8H8ClNO4S.Na/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14;/h2-4H,1H3,(H,10,11)(H,12,13,14);/q;+1/p-1
InChI Key:
GFUFZPFKKASMNJ-UHFFFAOYSA-M
SMILES:
CC(=O)Nc1ccc(cc1S(=O)(=O)[O-])Cl.[Na+]
EC Number:
284-841-0
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.968g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.647g/mol
Monoisotopic Mass:
270.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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