Home Nitros 2-[(2-hydroxyethyl)sulfanyl]-5-nitrobenzoic acid

2-[(2-hydroxyethyl)sulfanyl]-5-nitrobenzoic acid

CAS No.:
124416-04-2
Catalog Number:
AG01A3GQ
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
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Product Description
Catalog Number:
AG01A3GQ
Chemical Name:
2-[(2-hydroxyethyl)sulfanyl]-5-nitrobenzoic acid
CAS Number:
124416-04-2
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
MDL Number:
MFCD12144298
IUPAC Name:
2-(2-hydroxyethylsulfanyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5S/c11-3-4-16-8-2-1-6(10(14)15)5-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChI Key:
GEBFLDYDAQLPEJ-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties