Fluconazole EP Impurity F

CAT: 1299-RM-F121106-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F121106-01Size:10 mg

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CAS Number

118689-07-9

Synonyms

2- (2,4-Difluorophenyl) -3- (1H-1,2,4-triazol-1-yl) -1,2-propanediol

Molecular Formula

C11H11F2N3O2

Molecular Weight

255.23

Target Alternative Name

Fluconazole

Product Name Synonym

2- (2,4-Difluorophenyl) -3- (1H-1,2,4-triazol-1-yl) -1,2-propanediol

Chemical Information

2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol

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CAS Number	118689-07-9
PubChem CID	10988840
IUPAC Name	2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
Molecular Formula	C11H11F2N3O2
Molecular Weight	255.22
XLogP	0
Topological Polar Surface Area	71.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	285

SMILES

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CO)O

InChI

InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2

InChIKey

BZYVJTMKMDGJRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118689-07-9

CID: 10988840

Formula: C11H11F2N3O2

MW: 255.22

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	255.22
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	255.08193293
Monoisotopic Mass	255.08193293
Topological Polar Surface Area	71.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285
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

Catalog	Name
RM-F121101-01	Fluconazole EP Impurity A
RM-F121103-01	Fluconazole EP Impurity C
RM-F121107-01	Fluconazole EP Impurity G
RM-F121114-01	Fluconazole EP Impurity I
RM-F121104-01	Fluconazole EP Impurity D
RM-F121102-01	Fluconazole EP Impurity B
RM-F121108-01	Fluconazole EP Impurity H
RM-F121105-01	Fluconazole EP Impurity E; Voriconazole EP Impurity A
RM-F121120-01	Fluconazole Impurity 20; Voriconazole EP Impurity B
RM-T162006-01	Tryptophan EP Impurity F; N-Acetyltryptophan EP Impurity F