WM-8014 25mg

CAT: 0628-A20006-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20006-25Size:25 mg

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

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CAS Number

2055397-18-5

Chemical Information

(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide

CAS Number	2055397-18-5
PubChem CID	133053564
IUPAC Name	N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
Molecular Formula	C20H17FN2O3S
Molecular Weight	384.4
XLogP	4.1
Topological Polar Surface Area	83.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	595

SMILES

CC1=CC(=CC(=C1F)C(=O)NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17FN2O3S/c1-14-12-16(15-8-4-2-5-9-15)13-18(19(14)21)20(24)22-23-27(25,26)17-10-6-3-7-11-17/h2-13,23H,1H3,(H,22,24)

InChIKey

PHHZKBMVRPULAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2055397-18-5

CID: 133053564

Formula: C20H17FN2O3S

MW: 384.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.4
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	384.09439174
Monoisotopic Mass	384.09439174
Topological Polar Surface Area	83.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	595
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