Florfenicol Impurity 8

CAT: 1299-RM-F123708-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F123708-01Size:10 mg

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CAS Number

1415830-89-5

Synonyms

Ethyl (2R,3R) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propanoate

Molecular Formula

C12H17NO5S

Molecular Weight

287.33

Target Alternative Name

Florfenicol

Product Name Synonym

Ethyl (2R,3R) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propanoate

Chemical Information

Florfenicol Impurity 7

CAS Number	1415830-89-5
PubChem CID	95005272
IUPAC Name	ethyl (2R,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate
Molecular Formula	C12H17NO5S
Molecular Weight	287.33
XLogP	-0.3
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	395

SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(=O)C)O)N

InChI

InChI=1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11-/m1/s1

InChIKey

CEEHCOWSYFANRT-GHMZBOCLSA-N

Chemical Structure

2D Structure

CAS: 1415830-89-5

CID: 95005272

Formula: C12H17NO5S

MW: 287.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.33
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	287.08274382
Monoisotopic Mass	287.08274382
Topological Polar Surface Area	115 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	395
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes