L 345

CAT: 0931-T32438Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T32438Size:25 mg

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

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CAS Number

121809-82-3

Target

Others

Related Pathways

Others

Bioactivity

L 345 is a bioactive chemical.

Smiles

O=C(O)C(OC1=CC=C(C=C1)NC(=O)NC2=CC(Cl)=C(Cl)C(Cl)=C2)(C)C

Molecular Formula

C17H15Cl3N2O4

Molecular Weight

417.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

L 345

RN & structure given in first source

CAS Number	121809-82-3
PubChem CID	129508
IUPAC Name	2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid
Molecular Formula	C17H15Cl3N2O4
Molecular Weight	417.7
XLogP	4.5
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	500

SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C(=C2)Cl)Cl)Cl

InChI

InChI=1S/C17H15Cl3N2O4/c1-17(2,15(23)24)26-11-5-3-9(4-6-11)21-16(25)22-10-7-12(18)14(20)13(19)8-10/h3-8H,1-2H3,(H,23,24)(H2,21,22,25)

InChIKey

RETXRBKBFDJBQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121809-82-3

CID: 129508

Formula: C17H15Cl3N2O4

MW: 417.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	417.7
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	416.009740
Monoisotopic Mass	416.009740
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	500
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

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L 345

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