Tenofovir Impurity 94

CAT: 1299-RM-T140694-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140694-01Size:10 mg

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

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CAS Number

133217-92-2

Synonyms

Chloromethyl diethylcarbamate

Molecular Formula

C6H12ClNO2

Molecular Weight

165.62

Target Alternative Name

Tenofovir

Product Name Synonym

Chloromethyl diethylcarbamate

Chemical Information

Chloromethyl diethylcarbamate

CAS Number	133217-92-2
PubChem CID	14800940
IUPAC Name	chloromethyl N,N-diethylcarbamate
Molecular Formula	C6H12ClNO2
Molecular Weight	165.62
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	104

SMILES

CCN(CC)C(=O)OCCl

InChI

InChI=1S/C6H12ClNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3

InChIKey

INYBDSYHTPGUKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133217-92-2

CID: 14800940

Formula: C6H12ClNO2

MW: 165.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.62
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	165.0556563
Monoisotopic Mass	165.0556563
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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