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14752-66-0 | Benzenesulfinic acid, 4-chloro-, sodium salt (1:1)
CAS No: 14752-66-0 Catalog No: AG001EYT MDL No:MFCD00035602
Product Description
Catalog Number:
AG001EYT
Chemical Name:
Benzenesulfinic acid, 4-chloro-, sodium salt (1:1)
CAS Number:
14752-66-0
Molecular Formula:
C6H4ClNaO2S
Molecular Weight:
198.6025
MDL Number:
MFCD00035602
IUPAC Name:
sodium;4-chlorobenzenesulfinate
InChI:
InChI=1S/C6H5ClO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key:
JFXAUUFCZJYLJF-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)S(=O)[O-].[Na+]
EC Number:
238-811-9
UNII:
X2U129FZ4N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.952g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.596g/mol
Monoisotopic Mass:
197.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| New synthetic sulfone derivatives inhibit growth, adhesion and the leucine arylamidase APE2 gene expression of Candida albicans in vitro. | Bioorganic & medicinal chemistry 20150115 |
| S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. | Bioorganic & medicinal chemistry letters 20100901 |
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