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Irbesartan Impurity 3

CAT: 1266-JH915212Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
152708-24-2
Molecular Formula
C14H11N7
Molecular Weight
277.28

Chemical Information

5-(4'-(Azidomethyl)(1,1'-biphenyl)-2-yl)-2H-tetrazole
CAS Number152708-24-2
PubChem CID53879656
IUPAC Name5-[2-[4-(azidomethyl)phenyl]phenyl]-2H-tetrazole
Molecular FormulaC14H11N7
Molecular Weight277.28
XLogP3.6
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity374
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN=[N+]=[N-])C3=NNN=N3
InChI
InChI=1S/C14H11N7/c15-19-16-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-17-20-21-18-14/h1-8H,9H2,(H,17,18,20,21)
InChIKey
HIWODOJPZXUTRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4'-(Azidomethyl)(1,1'-biphenyl)-2-yl)-2H-tetrazole
CAS: 152708-24-2
CID: 53879656
Formula: C14H11N7
MW: 277.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.28
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass277.10759338
Monoisotopic Mass277.10759338
Topological Polar Surface Area68.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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