Cetophenicol; Chloramphenicol Impurity 5

CAT: 1299-RM-C080805-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C080805-01Size:10 mg

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CAS Number

735-52-4

Synonyms

N- ((1R,2R) -1- (4-acetylphenyl) -1,3-dihydroxypropan-2-yl) -2,2-dichloroacetamide

Molecular Formula

C13H15Cl2NO4

Molecular Weight

320.17

Target Alternative Name

Chloramphenicol

Product Name Synonym

N- ((1R,2R) -1- (4-acetylphenyl) -1,3-dihydroxypropan-2-yl) -2,2-dichloroacetamide

Chemical Information

Cetophenicol

Cetofenicol is an aromatic ketone.

CAS Number	735-52-4
PubChem CID	10358610
IUPAC Name	N-[(1R,2R)-1-(4-acetylphenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
Molecular Formula	C13H15Cl2NO4
Molecular Weight	320.16
XLogP	0.6
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	343

SMILES

CC(=O)C1=CC=C(C=C1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O

InChI

InChI=1S/C13H15Cl2NO4/c1-7(18)8-2-4-9(5-3-8)11(19)10(6-17)16-13(20)12(14)15/h2-5,10-12,17,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1

InChIKey

PKUBDVAOXLEWBF-GHMZBOCLSA-N

Chemical Structure

2D Structure

CAS: 735-52-4

CID: 10358610

Formula: C13H15Cl2NO4

MW: 320.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.16
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	319.0378133
Monoisotopic Mass	319.0378133
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	343
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

Catalog	Name
AR-C07103-01	Chloramphenicol EP Impurity B
T30800	Cetophenicol
A2512-5000	Chloramphenicol