KBU2046

CAT: 0926-TVB86369-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-TVB86369-02Size:5 mg

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

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CAS Number

1143863-69-7

Smiles

C1C (C (=O) C2=CC=CC=C2O1) C3=CC=C (C=C3) F

Molecular Formula

C15H11FO2

Molecular Weight

242.2 g/mol

Controlled

Chemical Information

3-(4-Fluorophenyl)chroman-4-one

CAS Number	1143863-69-7
PubChem CID	25227426
IUPAC Name	3-(4-fluorophenyl)-2,3-dihydrochromen-4-one
Molecular Formula	C15H11FO2
Molecular Weight	242.24
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	310

SMILES

C1C(C(=O)C2=CC=CC=C2O1)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-8,13H,9H2

InChIKey

XKAFGKFIJBGYAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1143863-69-7

CID: 25227426

Formula: C15H11FO2

MW: 242.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.24
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	242.07430775
Monoisotopic Mass	242.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes