Phosphonic acid, [2-oxo-1-phenyl-1-[(trimethylsilyl)oxy]propyl]-, diethylester

Iupac Name：4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid

CAS No.：54-31-9

Molecular Weight：330.739

1. Names and Identifiers

1.1 Name: Phosphonic acid, [2-oxo-1-phenyl-1-[(trimethylsilyl)oxy]propyl]-, diethylester

2. 3D Conformer

3. Properties

4. Safety and Handling

5. MSDS

Reproductive toxicity, Category 1B

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H360 May damage fertility or the unborn child
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

none

6. Computational chemical data

Molecular Weight：330.739g/mol
Molecular Formula：C_₁₃H_₁₈N_₂O_₃
Compound Is Canonicalized：True
XLogP3-AA：2
Exact Mass：330.008
Monoisotopic Mass：330.008
Complexity：481
Rotatable Bond Count：5
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：131A^2
Heavy Atom Count：21
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint： AAADccBzOABEAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgYQSAAADA7h2CYwzYLABkKI AqzSyHDCCBAlJwAIiJmObsgOJjrFt7uHeajm0BHY+ceY2SKOBAQAgAICAIAICAEABAQBAAAAAAAA AA==