WM-1119 10mg

CAT: 0628-A16828-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A16828-10Size:10 mg

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

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CAS Number

2055397-28-7

Chemical Information

WM-1119

CAS Number	2055397-28-7
PubChem CID	133080719
IUPAC Name	3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
Molecular Formula	C18H13F2N3O3S
Molecular Weight	389.4
XLogP	2.8
Topological Polar Surface Area	96.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	613

SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)NNC(=O)C2=CC(=CC(=C2)C3=CC=CC=N3)F

InChI

InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)

InChIKey

QLXULUNLCRKWRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2055397-28-7

CID: 133080719

Formula: C18H13F2N3O3S

MW: 389.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	389.06456878
Monoisotopic Mass	389.06456878
Topological Polar Surface Area	96.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	613
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

Catalog	Name
A8782-10	WM-1119
BW166843	WM 1119