LolCDE-IN-1 5mg

CAT: 0628-A22695-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22695-5Size:5 mg

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

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CAS Number

1639933-78-0

Chemical Information

LolCDE-IN-1

CAS Number	1639933-78-0
PubChem CID	118720981
IUPAC Name	4-[5-[3-[(4-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
Molecular Formula	C21H16FN3O
Molecular Weight	345.4
XLogP	4
Topological Polar Surface Area	50.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	423

SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C3=C(C=NN3)C4=CC=NC=C4

InChI

InChI=1S/C21H16FN3O/c22-18-6-4-15(5-7-18)14-26-19-3-1-2-17(12-19)21-20(13-24-25-21)16-8-10-23-11-9-16/h1-13H,14H2,(H,24,25)

InChIKey

DNZHPYAAJMOOPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1639933-78-0

CID: 118720981

Formula: C21H16FN3O

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	345.12774030
Monoisotopic Mass	345.12774030
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	423
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