LysRs-IN-2

CAT: 0607-BA7167-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7167-1Size:1 mg

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

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CAS Number

2170696-76-9

Form

A solid

Molecular Formula

C17H16F3NO4

Molecular Weight

355.31

Shipping Conditions

Blue ice

Storage Conditions

4°C.

Chemical Information

LysRs-IN-2

CAS Number	2170696-76-9
PubChem CID	134158252
IUPAC Name	N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
Molecular Formula	C17H16F3NO4
Molecular Weight	355.31
XLogP	2.2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	582

SMILES

C1CC(CCC1(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)O)(F)F

InChI

InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)

InChIKey

PJBRCGHQNUWERQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2170696-76-9

CID: 134158252

Formula: C17H16F3NO4

MW: 355.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.31
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	355.10314248
Monoisotopic Mass	355.10314248
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	582
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