LDHA-IN-3

CAT: 0607-BA7855-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA7855-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

227010-33-5

Form

A solid

Molecular Formula

C13H9F3Se

Molecular Weight

301.17

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ldha-IN-3

CAS Number	227010-33-5
PubChem CID	10494496
IUPAC Name	1-phenylselanyl-4-(trifluoromethyl)benzene
Molecular Formula	C13H9F3Se
Molecular Weight	301.18
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	225

SMILES

C1=CC=C(C=C1)[Se]C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H9F3Se/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H

InChIKey

WJNWVLLRQJFFTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 227010-33-5

CID: 10494496

Formula: C13H9F3Se

MW: 301.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.18
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	301.98216
Monoisotopic Mass	301.98216
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	225
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