Pyroxasulfone Impurity 10

CAT: 1596-AR-P33481-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P33481-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1379794-42-9

Molecular Formula

C6H5F5N2O4S

Molecular Weight

296.17

API Name

Pyroxasulfone

Chemical Information

5-(Difluoromethoxy)-3-(trifluoromethyl)-1H-pyrazole-4-methanesulfonic acid

CAS Number	1379794-42-9
PubChem CID	138394797
IUPAC Name	[3-(difluoromethoxy)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanesulfonic acid
Molecular Formula	C6H5F5N2O4S
Molecular Weight	296.17
XLogP	1.1
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	380

SMILES

C(C1=C(NN=C1OC(F)F)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C6H5F5N2O4S/c7-5(8)17-4-2(1-18(14,15)16)3(12-13-4)6(9,10)11/h5H,1H2,(H,12,13)(H,14,15,16)

InChIKey

DJCPUQYOVZYBMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379794-42-9

CID: 138394797

Formula: C6H5F5N2O4S

MW: 296.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.17
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	295.98901863
Monoisotopic Mass	295.98901863
Topological Polar Surface Area	101 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	380
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