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CAT: 0607-BA2751-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2751-25Size:25 mg

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

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CAS Number

451491-47-7

Form

A solid

Molecular Formula

C16H13ClF3NO2

Molecular Weight

343.73

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

N-(4-Chloro-3-trifluoromethyl-phenyl)-2-ethoxy-benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide is a member of benzamides.

CAS Number	451491-47-7
PubChem CID	729859
IUPAC Name	N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
Molecular Formula	C16H13ClF3NO2
Molecular Weight	343.73
XLogP	4.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	405

SMILES

CCOC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)

InChIKey

YDXZSNHARVUYNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 451491-47-7

CID: 729859

Formula: C16H13ClF3NO2

MW: 343.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.73
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	343.0586908
Monoisotopic Mass	343.0586908
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	405
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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