Diflumidone 25mg

CAT: 0628-A17113-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A17113-25Size:25 mg

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CAS Number

22736-85-2

Chemical Information

Diflumidone

Diflumidone is a small molecule drug. Diflumidone has a monoisotopic molecular weight of 311.04 Da.

CAS Number	22736-85-2
PubChem CID	31501
IUPAC Name	N-(3-benzoylphenyl)-1,1-difluoromethanesulfonamide
Molecular Formula	C14H11F2NO3S
Molecular Weight	311.31
XLogP	2.9
Topological Polar Surface Area	71.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	455

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C(F)F

InChI

InChI=1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H

InChIKey

JLBDOSAQLCZTSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22736-85-2

CID: 31501

Formula: C14H11F2NO3S

MW: 311.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.31
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	311.04277071
Monoisotopic Mass	311.04277071
Topological Polar Surface Area	71.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	455
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