ST034307

CAT: 0607-BA5086-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5086-10Size:10 mg

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

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CAS Number

133406-29-8

Form

A solid

Molecular Formula

C10H4Cl4O2

Molecular Weight

297.95

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

6-chloro-2-(trichloromethyl)-4H-chromen-4-one

CAS Number	133406-29-8
PubChem CID	867466
IUPAC Name	6-chloro-2-(trichloromethyl)chromen-4-one
Molecular Formula	C10H4Cl4O2
Molecular Weight	297.9
XLogP	3.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	334

SMILES

C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(Cl)(Cl)Cl

InChI

InChI=1S/C10H4Cl4O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H

InChIKey

NTDHYMSVCBGQJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133406-29-8

CID: 867466

Formula: C10H4Cl4O2

MW: 297.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.9
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	297.893590
Monoisotopic Mass	295.896540
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	334
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