PF-05214030

CAT: 0607-BA7011-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7011-10Size:10 mg

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

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CAS Number

1669444-50-1

Form

A solid

Molecular Formula

C17H13Cl2FN2O4S

Molecular Weight

431.27

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-((1-((2,4-Dichlorophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)-2-fluorobenzonitrile

CAS Number	1669444-50-1
PubChem CID	90665456
IUPAC Name	4-[[1-(2,4-dichlorophenyl)sulfonyl-3-hydroxyazetidin-3-yl]methoxy]-2-fluorobenzonitrile
Molecular Formula	C17H13Cl2FN2O4S
Molecular Weight	431.3
XLogP	2.8
Topological Polar Surface Area	99
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	689

SMILES

C1C(CN1S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)(COC3=CC(=C(C=C3)C#N)F)O

InChI

InChI=1S/C17H13Cl2FN2O4S/c18-12-2-4-16(14(19)5-12)27(24,25)22-8-17(23,9-22)10-26-13-3-1-11(7-21)15(20)6-13/h1-6,23H,8-10H2

InChIKey

RZAIRBXIVAVGHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1669444-50-1

CID: 90665456

Formula: C17H13Cl2FN2O4S

MW: 431.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	431.3
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	429.9957116
Monoisotopic Mass	429.9957116
Topological Polar Surface Area	99 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	689
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes