Florfenicol Impurity 2

CAT: 1299-RM-F123702-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F123702-01Size:10 mg

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CAS Number

2293206-33-2

Synonyms

Methyl 2-acetamido-3- (4- (methylsulfonyl) phenyl) -3-oxopropanoate

Molecular Formula

C13H15NO6S

Molecular Weight

313.32

Target Alternative Name

Florfenicol

Product Name Synonym

Methyl 2-acetamido-3- (4- (methylsulfonyl) phenyl) -3-oxopropanoate

Chemical Information

Florfenicol Impurity 2

CAS Number	2293206-33-2
PubChem CID	172559108
IUPAC Name	methyl 2-acetamido-3-(4-methylsulfonylphenyl)-3-oxopropanoate
Molecular Formula	C13H15NO6S
Molecular Weight	313.33
XLogP	0.3
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	513

SMILES

CC(=O)NC(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C13H15NO6S/c1-8(15)14-11(13(17)20-2)12(16)9-4-6-10(7-5-9)21(3,18)19/h4-7,11H,1-3H3,(H,14,15)

InChIKey

UPTYABSLRJPFSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2293206-33-2

CID: 172559108

Formula: C13H15NO6S

MW: 313.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.33
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	313.06200837
Monoisotopic Mass	313.06200837
Topological Polar Surface Area	115 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes