L6H9

CAT: 0013-GTR19208464-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208464-01Size:25 mg

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

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Description

L6H9

CAS Number

1345412-48-7

Smiles

C (=C/C (=O) C1=CC=C (OC) C=C1) \C2=C (F) C=CC=C2F

Molecular Formula

C16H12F2O2

Molecular Weight

274.26

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(e)-2,6-Difluoro-4'-methoxychalcone

CAS Number	1345412-48-7
PubChem CID	56655726
IUPAC Name	(E)-3-(2,6-difluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Molecular Formula	C16H12F2O2
Molecular Weight	274.26
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	338

SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CC=C2F)F

InChI

InChI=1S/C16H12F2O2/c1-20-12-7-5-11(6-8-12)16(19)10-9-13-14(17)3-2-4-15(13)18/h2-10H,1H3/b10-9+

InChIKey

VOKHWXOGLWFVJX-MDZDMXLPSA-N

Chemical Structure

2D Structure

CAS: 1345412-48-7

CID: 56655726

Formula: C16H12F2O2

MW: 274.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.26
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	274.08053595
Monoisotopic Mass	274.08053595
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T70932-01	L6H9