KX1-004 1mg

CAT: 0628-A12214-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12214-1Size:1 mg

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

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CAS Number

518058-84-9

Chemical Information

5-Fluoro-N-(3-hydroxybenzyl)-1H-indole-2-carboxamide

CAS Number	518058-84-9
PubChem CID	21014417
IUPAC Name	5-fluoro-N-[(3-hydroxyphenyl)methyl]-1H-indole-2-carboxamide
Molecular Formula	C16H13FN2O2
Molecular Weight	284.28
XLogP	2.9
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	379

SMILES

C1=CC(=CC(=C1)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)F

InChI

InChI=1S/C16H13FN2O2/c17-12-4-5-14-11(7-12)8-15(19-14)16(21)18-9-10-2-1-3-13(20)6-10/h1-8,19-20H,9H2,(H,18,21)

InChIKey

TUIHIKXCMCXXJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 518058-84-9

CID: 21014417

Formula: C16H13FN2O2

MW: 284.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.28
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	284.09610582
Monoisotopic Mass	284.09610582
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
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