Avibactam Impurity 29

CAT: 1596-AR-A07631-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07631-02Size:25 Units

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

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CAS Number

2064219-15-2

Synonyms

(1R,2R,5R) -6- (benzyloxy) -7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

Molecular Formula

C14H17N3O3

Molecular Weight

275.31

API Name

Avibactam

Chemical Information

(1R,2R,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

CAS Number	2064219-15-2
PubChem CID	86596168
IUPAC Name	(2R,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Molecular Formula	C14H17N3O3
Molecular Weight	275.30
XLogP	0.6
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	395

SMILES

C1C[C@@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12-/m1/s1

InChIKey

HYTSWLKLRKLRHK-VXGBXAGGSA-N

Chemical Structure

2D Structure

CAS: 2064219-15-2

CID: 86596168

Formula: C14H17N3O3

MW: 275.30

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	275.30
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	275.12699141
Monoisotopic Mass	275.12699141
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	395
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes