Sacubitril Impurity 51

CAT: 1299-RM-E201950-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201950-01Size:10 mg

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

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CAS Number

2413471-14-2

Synonyms

(R) -1- ([1,1'-biphenyl]-4-yl) -3-chloropropan-2-ol

Molecular Formula

C15H15ClO

Molecular Weight

246.73

Target Alternative Name

Sacubitril

Product Name Synonym

(R) -1- ([1,1'-biphenyl]-4-yl) -3-chloropropan-2-ol

Chemical Information

(R)-1-([1,1'-Biphenyl]-4-yl)-3-chloropropan-2-ol

CAS Number	2413471-14-2
PubChem CID	124635952
IUPAC Name	(2R)-1-chloro-3-(4-phenylphenyl)propan-2-ol
Molecular Formula	C15H15ClO
Molecular Weight	246.73
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	205

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@H](CCl)O

InChI

InChI=1S/C15H15ClO/c16-11-15(17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2/t15-/m1/s1

InChIKey

SFHXNWGGDWFBBR-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 2413471-14-2

CID: 124635952

Formula: C15H15ClO

MW: 246.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.73
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	246.0811428
Monoisotopic Mass	246.0811428
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes