Voriconazole Impurity 24

CAT: 1596-AR-V06982-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-V06982-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1307315-04-3

Molecular Formula

C16H13BrF3N5O

Molecular Weight

428.21

API Name

Voriconazole

Chemical Information

3-(6-bromo-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

CAS Number	1307315-04-3
PubChem CID	168010550
IUPAC Name	3-(6-bromo-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Formula	C16H13BrF3N5O
Molecular Weight	428.21
XLogP	2.5
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	481

SMILES

CC(C1=C(C(=NC=N1)Br)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/C16H13BrF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3

InChIKey

OPOJGSRSGYNUJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1307315-04-3

CID: 168010550

Formula: C16H13BrF3N5O

MW: 428.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.21
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	427.02556
Monoisotopic Mass	427.02556
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes